Shanghai AoBo Bio-pharmaceutical Technology Co., Ltd

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Profile: Shanghai AoBo Bio-Pharmaceutical Technology Co., Ltd. is engaged in researching, developing, manufacturing and marketing of new pharmaceuticals and advanced intermediates and providing advanced technology services. We have the advantage of using multi-step synthesis technology and paying attention to researching and developing new technology through proprietary intellectual property rights. We specialize at developing drugs for antidepressants, antiviruses and cardiovascular purposes. We are also experienced in refining, separation and impurity control. We have currently researched and developed about twenty API projects including Temocapril HCL, with ten new projects in process.

Shanghai AoBo Bio-Pharmaceutical Technology Co., Ltd. was established in June 2004 and is located in "Chinese Medicine Valley". Our R&D center is staffed with highly educated and experienced professionals and is 900 m2, with five synthesis labs, two scale-up pilot labs and one analytical lab.

Shanghai AoBo provides technical services for medical companies, chemical enterprises and trade companies at home and abroad. Our synthesis staff can provide technical services for research of organic chemistry in Aobo and can be engaged in routine organic reactions, anhydrous reactions, hydrogenation, oxidation, amination and more. We are fully equipped with more than ten glass reactors from 5L to 50L, two 20L rotary devaporizers combined with low-temperature cooling liquid circulating pump (30L, -40°), and ten 2L rotary devaporizers combined with low-temperature cooling liquid circulating pump (5L, -20°). We specialize in synthesis of reagents, pharmaceutical intermediates, reference standards and impurities from milligram scale to kilograms scale. Shanghai AoBo also has the production capacity for APIs and pharmaceutical intermediates with ranges from mere kilos to tens of tons per month using our parent company's work shops.

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• Arabinofuranosyluracil

IUPAC Name: 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | CAS Registry Number: 3083-77-0
Synonyms: Spongouridin, Spongouridine, Arauridine, Arabinosyluracil, Uracil arabinoside, Uridine arabinoside, Ara-U, Spongouridine (VAN), ARABINOFURANOSYLURACIL, 1-beta-D-Arabinofuranosyluracil, 1beta-D-Arabinofuranosyluracil, 1-beta-D-Arabinofurnosyluracil, Uracil-beta-D-arabinofuranoside, U5377_SIGMA, STOCK1N-03114, EINECS 221-386-9, Uracil, 1-beta-D-arabinofuranosyl-, NSC 68928, Uracil 1-beta-D-arabinofuranoside, BRN 0028749

Molecular Formula:	C₉H₁₂N₂O₆	Molecular Weight:	244.201380 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: DRTQHJPVMGBUCF-CCXZUQQUSA-N

• Arachidic acid ethyl ester

IUPAC Name: ethyl icosanoate | CAS Registry Number: 18281-05-5
Synonyms: Ethyl icosanoate, Ethyl arachidate, Eicosanoic acid, ethyl ester, ETHYL EICOSANOATE, A9010_SIGMA

Molecular Formula:	C₂₂H₄₄O₂	Molecular Weight:	340.583560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YBKSMWBLSBAFBQ-UHFFFAOYSA-N

• Aranidipine

IUPAC Name: 5-O-methyl 3-O-(2-oxopropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 86780-90-7
Synonyms: aranidipine, Sapresta, Aranidipine [INN], Sapresta (TN), Mpc-1304, Aranidipine (JAN/INN), CCRIS 6724, MPC 1304, CID2225, C19H20N2O7, LS-131299, D01562, C059427, (+-)-Acetonyl methyl 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-3,5-pyridinedicarboxylate, methyl 2-oxopropyl 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-3,5-pyridinedicarboxylic acid, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, methyl 2-oxopropyl ester, bec

Molecular Formula:	C₁₉H₂₀N₂O₇	Molecular Weight:	388.371300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: NCUCGYYHUFIYNU-UHFFFAOYSA-N

• Arbekacin

IUPAC Name: (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide | CAS Registry Number: 51025-85-5
Synonyms: Haberacin, Habekacin, Arbekacin [INN], Arbekacine [French], Arbekacinum [Latin], Arbekacina [Spanish], Arbekacin (INN/USAN), CHEBI:37922, C22H44N6O10, CID68682, NCGC00167530-01, LS-146936, D07462, D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-, D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4))-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-, O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1->6))-N'-((2S)-4-amino-2-hydroxybutyryl)-2-deoxy-L-streptamine, (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-4-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyloxy)-3-hydroxycyclohexyl]-2-hydroxybutanamide, O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-6))-N'-((2S)-4-amino-2-hydroxybutyryl)-2-deoxy-L-streptamine

Molecular Formula:	C₂₂H₄₄N₆O₁₀	Molecular Weight:	552.618960 [g/mol]
H-Bond Donor:	11	H-Bond Acceptor:	15

InChIKey: MKKYBZZTJQGVCD-XTCKQBCOSA-N

• Arbidol Hydrochloride

IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate hydrate hydrochloride | CAS Registry Number: 131707-23-8
Synonyms: Arbidol, arbidole, C22H25BrN2O3S.HCl.H2O, LS-82546, 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylthio)methyl)-, ethyl ester, moonohydrochloride, 1-methyl-2-((phenylthio)methyl)-3-carbethoxy-4-((dimethylamino)methyl)-5-hydroxy-6-bromindole hydrochloride, 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylthio)methyl)-, ethyl ester, monohydrochloride, hydrate

Molecular Formula:	C₂₂H₂₈BrClN₂O₄S	Molecular Weight:	531.890720 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: PLWQHPWNKPKQJT-UHFFFAOYSA-N

• Arbutin

IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol | CAS Registry Number: 497-76-7
Synonyms: arbutin, Uvasol, Ursin, Arbutoside, beta-Arbutin, p-Arbutin, Spectrum_000786, SpecPlus_000314, Prestwick3_001026, Spectrum2_000662, Spectrum3_001233, Spectrum4_001474, Spectrum5_000147, BSPBio_001211, BSPBio_002706, KBioGR_002047, KBioSS_001266, SPECTRUM300539, A4256_SIGMA, DivK1c_006410

Molecular Formula:	C₁₂H₁₆O₇	Molecular Weight:	272.251240 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	7

InChIKey: BJRNKVDFDLYUGJ-RMPHRYRLSA-N

• Arctiin

IUPAC Name: (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one | CAS Registry Number: 20362-31-6
Synonyms: Arctigenin-4-glucoside, Arctiin (8CI), MEGxp0_000527, ACon1_001261, AIDS002468, NSC 315527, AIDS-002468, CID100528, NCGC00169522-01, LS-69357, 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-, (3R-trans)-, 2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)-3-((4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl)methyl)dihydro-, (3R-trans)- (9CI), 2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-(b-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-, (3R,4R)-

Molecular Formula:	C₂₇H₃₄O₁₁	Molecular Weight:	534.552260 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	11

InChIKey: XOJVHLIYNSOZOO-SWOBOCGESA-N

• Argatroban

IUPAC Name: (2R,4R)-1-[5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid hydrate | CAS Registry Number: 141396-28-3
Synonyms: argatroban, Novastan, Argatroban hydrate, Novastan (TN), Argatroban (USAN), Argatroban hydrate (JAN), D00181

Molecular Formula:	C₂₃H₃₈N₆O₆S	Molecular Weight:	526.649420 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	11

InChIKey: AIEZTKLTLCMZIA-LINCPPCXSA-N

• Arginine Aspartate

IUPAC Name: 2-aminobutanedioic acid; (2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid | CAS Registry Number: 7675-83-4
Synonyms: ARGININE ASPARTATE, L-Arginine, L-aspartate, EINECS 231-656-8, CID24325, LS-21578, L-Aspartic acid, compd. with L-arginine (1:1), L-Aspartic acid, compound with L-arginine (1:1), 3054-35-1

Molecular Formula:	C₁₀H₂₁N₅O₆	Molecular Weight:	307.303640 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	11

InChIKey: SUUWYOYAXFUOLX-PGMHMLKASA-N

• Argipressin acetate

IUPAC Name: (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide | CAS Registry Number: 113-79-1
Synonyms: ARGIPRESSIN, Arginine vasopressin, Arginine-vasopressin, 8-Arginine-vasopressin, Vasopressin (arginine form), CHEMBL373742, CHEBI:34543, Argipressin tannate, [Arg8]-Vasopressin, 3-(Phenylalanine)-8-arginineoxytocin, Argipressin tannate (USAN), Argipressin tannate [USAN], Argipressine, Argipressina [DCIT], beta-Hypophamine, Argipresina [INN-Spanish], Argipressine [INN-French], Argipressinum [INN-Latin], Vasopressin, 8-L-arginine-, NCGC00166306-01

Molecular Formula:	C₄₆H₆₅N₁₅O₁₂S₂	Molecular Weight:	1084.231600 [g/mol]
H-Bond Donor:	14	H-Bond Acceptor:	16

InChIKey: KBZOIRJILGZLEJ-LGYYRGKSSA-N

• Aripiprazole

IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 129722-12-9
Synonyms: Abilify, Abilitat, Abilify Discmelt, Aripirazole, Discmelt, Aripiprazole [USAN], Abilify (TN), OPC 31, Opc 14597, OPC-14597, HSDB 7320, MLS000759517, MLS001165779, MLS001195621, MLS001424078, C23H27Cl2N3O2, Aripiprazole (JAN/USAN/INN), OPC-31, STOCK6S-52961, CHEBI:31236

Molecular Formula:	C₂₃H₂₇Cl₂N₃O₂	Molecular Weight:	448.385380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: CEUORZQYGODEFX-UHFFFAOYSA-N

• Aristolochic acid

IUPAC Name: 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid | CAS Registry Number: 313-67-7
Synonyms: Tardolyt, Aristolochin, Aristolochic acid I, Birthwort, Aristolochiazaeure, Aristolochic acid A, Aristolochic acid-I, ARISTOLOCHINE, Spectrum_001156, SpecPlus_000448, Spectrum2_000822, Spectrum3_001114, Spectrum4_001952, Spectrum5_000729, NCIMech_000812, CCRIS 1544, TR 1736, BSPBio_001440, BSPBio_002848, KBioGR_000160

Molecular Formula:	C₁₇H₁₁NO₇	Molecular Weight:	341.271740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	7

InChIKey: BBFQZRXNYIEMAW-UHFFFAOYSA-N

• Artemether

Synonyms: Coartem, beta-Artemether, Artemetheri, Artmether, Paluther, Qinghaosu, Artemos, Artenam, Mixture Name, Artemether [INN], Methyl-dihydroartemisinine, Artemetero [INN-Spanish], Artemetherum [INN-Latin], Artemisininelactol methyl ether, Dihydroartemisinin methyl ether, Dihydroquinghaosu methyl ether, MLS001424249, beta-Dihydroartemisinin methyl ether, HSDB 7456, SM 224

Molecular Formula:	C₁₆H₂₆O₅	Molecular Weight:	298.374640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: SXYIRMFQILZOAM-HVNFFKDJSA-N

• Artemisinin

Synonyms: artemisinin, Artemisinine, Qinghaosu, Arteannuin, Qing Hau Sau, (+)-Arteannuin, Prestwick_818, Artemisinin (INN), nchembio806-comp6, nchembio875-comp2, nchembio.87-comp18, UPCMLD-DP074, SPECTRUM1503042, 361593_ALDRICH, UPCMLD-DP074:001, AIDS001420, BB_NC-0820, AIDS-001420, NSC369397, SDCCGMLS-0066721.P001

Molecular Formula:	C₁₅H₂₂O₅	Molecular Weight:	282.332180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: BLUAFEHZUWYNDE-DCJAHCNHSA-N

• Artenimol

Synonyms: Dihydroquinghoasu, Dihydroartemisinin, Artenimol (INN), JAV-110, AIDS008346, AIDS-008346, CID456410, VM3352, D07362, [3R-(3.alpha.,5a.beta.,6.beta.,8a.beta.,9.alpha.,10.alpha.,12.beta.,12aR*)]-Decahydro-10-hydroxy-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4.3-j]-1,2-benzodioxepin, 71939-50-9

Molecular Formula:	C₁₅H₂₄O₅	Molecular Weight:	284.348060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: BJDCWCLMFKKGEE-KXTPALSWSA-N

• Artesunate

Synonyms: Plasmotrin, Qinghaozhi, Arsumax, Artesunic acid, Artesunate ON, Sodium artesunate, Artesunate [INN], Succinyl dihydroartemisinin, Ambap1073, Artesunate (superseded RN), Artesunatum [INN-Latin], Artesunato [INN-Spanish], Dihydroqinghasu hemsuccinate, Quinghaosu reduced succinate ester, SM 804, Dihydroartemisinine-12-alpha-succinate, C19H28O8, LS-177760, LS-187735, WR 256283

Molecular Formula:	C₁₉H₂₈O₈	Molecular Weight:	384.420820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: FIHJKUPKCHIPAT-JQXDXKTESA-N

• Artimisinic Acid

IUPAC Name: 2-[(4R)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoic acid | CAS Registry Number: 80286-58-4
Synonyms: Artemisic acid, Artemisinic acid, CID124033, 1-Naphthaleneacetic acid, 1,2,3,4,4a,5,6,8a-octahydro-4,7-dimethyl-alpha-methylene-, (1R-(1alpha,4beta,4abeta,8abeta))-

Molecular Formula:	C₁₅H₂₂O₂	Molecular Weight:	234.333980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PLQMEXSCSAIXGB-GOHLOCJQSA-N

• Asarone

IUPAC Name: 1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene | CAS Registry Number: 2883-98-9
Synonyms: beta-Asarone, Etherophenol, Asaron, trans-Isoasaron, Asarum camphor, alpha-Asarone, cis-Asarone, trans-Isoasarone, Asarabacca camphor, TRANS-ASARONE, 221074_ALDRICH, CCRIS 1596, HSDB 3464, EINECS 220-743-6, BRN 1910606, cis-1-Propenyl-2,4,5-trimethoxybenzene, cis-2,4,5-Trimethoxy-1-propenylbenzene, AI3-36725, (E)-1,2,4-Trimethoxy-5-prop-1-enylbenzene, (E)-1,2,4-Trimethoxy-5-(1-propenyl)benzene

Molecular Formula:	C₁₂H₁₆O₃	Molecular Weight:	208.253640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: RKFAZBXYICVSKP-WAYWQWQTSA-N

• Ascorbic Acid

IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one | CAS Registry Number: 50-81-7
Synonyms: ascorbic acid, l-ascorbic acid, vitamin C, Ascorbicap, ascorbate, L-ascorbate, Ascoltin, Ascorbutina, Laroscorbine, Testascorbic, Vitascorbol, Allercorb, Ascorbajen, Ascorteal, Cescorbat, Cetemican, Cevitamin, Citriscorb, Lemascorb, Natrascorb

Molecular Formula:	C₆H₈O₆	Molecular Weight:	176.124120 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: TYQCGQRIZGCHNB-JLAZNSOCSA-N

• Ascorbyl Palmitate

IUPAC Name: [2-(4,5-dihydroxy-3-oxofuran-2-yl)-2-hydroxyethyl] hexadecanoate | CAS Registry Number: 137-66-6
Synonyms: Ondascora, Quicifal, Cetyl ascorbate, Ascorbic palmitate, L-Ascorbyl palmitate, Ascorboyl palmitate, 1-Ascorbyl palmitate, Ascorbyl monopalmitate, Ascorbyl palmitic acid, ASCORBYL PALMITATE, Ascorbylpalmitic acid, Asc6Plm, Ascorbic acid palmitate, Ascorbyl 6-palmitate, L-Ascorbyl 6-palmitate, 6-Palmitoylascorbic acid, vitamin C-palmitate, Asc-6-O-palmitate, Palmitoyl L-ascorbic acid, L-Ascorbyl monopalmitate

Molecular Formula:	C₂₂H₃₈O₇	Molecular Weight:	414.532920 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: NULLRXHRYOXSEW-UHFFFAOYSA-N

• Asiatic Acid

IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | CAS Registry Number: 464-92-6
Synonyms: Asiatic acid, Ambap908, CID119034, NSC 166063, NSC-166063, LS-193512, C08617, Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, (2alpha,3beta,4alpha)-, Urs-12en-28-oic acid, 2,3,23-trihydroxy-, (2alpha, 3beta, 4alpha)-, 0AS

Molecular Formula:	C₃₀H₄₈O₅	Molecular Weight:	488.699120 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: JXSVIVRDWWRQRT-UYDOISQJSA-N

• Asiaticoside

IUPAC Name: [6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate | CAS Registry Number: 16830-15-2
Synonyms: Asiaticosid, Emdecassol, Madecassol, Dermatologico, Centelase, Blastoestimulina, Ba 2742, CCRIS 8995, EINECS 240-851-7, NSC 166062, BRN 0078195, C48H78O19, NSC166062, LS-160852, 4-17-00-03627 (Beilstein Handbook Reference), (O-alpha-L-Rhamnopyranoxyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl)-2alpha,3beta,23-trihydroxy-12-ursen-28-oat, 2alpha,3beta,23-Trihydroxy-urs-12-en-28-saeure(O-alpha-L-rhamnopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl)ester, O-6-Deoxy-alpha-L-mannopyranosyl-(1.4)-O-beta-D-glucopyranosyl-(1.6)-beta-D-glucopyranosyl (2alpha,3beta,4alpha)-2,3,23-trihydroxyurs-12-en-28-oate, O-6-Desoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl 2alpha,3beta,23-trihydroxy-12-ursen-28-at, Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester, (2alpha,3beta,4alpha)-

Molecular Formula:	C₄₈H₇₈O₁₉	Molecular Weight:	959.121520 [g/mol]
H-Bond Donor:	12	H-Bond Acceptor:	19

InChIKey: WYQVAPGDARQUBT-UHFFFAOYSA-N

• Aspartame

IUPAC Name: (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid | CAS Registry Number: 22839-47-0
Synonyms: aspartame, Asp-phe-ome, Nutrasweet, Canderel, Equal, Sweet dipeptide, Tri-sweet, Dipeptide sweetener, Asp-Phe methyl ester, Aspartam [INN-French], Aspartame, L,L-alpha-, Aspartamum [INN-Latin], Spectrum2_001706, Spectrum3_001949, Aspartamo [INN-Spanish], Methyl aspartylphenylalanate, BSPBio_003549, Aspartame [USAN:BAN:INN], MLS001066421, MLS001306461

Molecular Formula:	C₁₄H₁₈N₂O₅	Molecular Weight:	294.303120 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: IAOZJIPTCAWIRG-QWRGUYRKSA-N

• Aspartic Acid

IUPAC Name: 2-aminobutanedioic acid | CAS Registry Number: 617-45-8
Synonyms: aspartic acid, L-aspartic acid, aspartate, D-Aspartic acid, DL-ASPARTIC ACID, DL-Asparagic acid, Aspatofort, Spartase, Aminosuccinic acid, Asparagic acid, Acid D,L-aspart, Asparaginic acid, Aspartic acid, DL-, DL-Aminosuccinic acid, L-Asparagic acid, L-Asparaginic acid, (+-)-Aspartic acid, (S)-Aspartic acid, Aspartic acid, L-, (R,S)-Aspartic acid

Molecular Formula:	C₄H₇NO₄	Molecular Weight:	133.102680 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: CKLJMWTZIZZHCS-UHFFFAOYSA-N

• Aspirin Dl Lysine

IUPAC Name: 2-acetyloxybenzoate; (5-amino-6-hydroxy-6-oxohexyl)azanium | CAS Registry Number: 62952-06-1
Synonyms: Aspegic, Venopirin, Aspisol, Aspirin DL-lysine, Asprin DL-Lysine, Aspirin lysine salt, Lysine acetylsalicylate, Aspegic (TN), Acetyl salicylate lysine, DL-Lysine acetylsalicylate, DL-Lysine-acetylsalicylate, Aspirin DL-lysine [JAN], Acetylsalicylic acid lysine salt, DL-Lysine mono(o-acetoxybenzoate), D,L-lysine, 2-(acetyloxy)benzoate, DL-Lysine acetylsalicylic acid salt, EINECS 263-769-3, C9H8O4.C6H14N2O2, Lysine, mono(2-(acetyloxy)benzoate), LS-88477

Molecular Formula:	C₁₅H₂₂N₂O₆	Molecular Weight:	326.344980 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: JJBCTCGUOQYZHK-UHFFFAOYSA-N

• Astaxanthin

IUPAC Name: 6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one | CAS Registry Number: 472-61-7
Synonyms: Astaxanthine, Ovoester, Spectrum5_000658, Astaxanthin, (3S,3'S)-, CCRIS 7118, BSPBio_002736, MLS001332555, MLS001332556, MLS002153390, A9335_SIGMA, SPECTRUM1502235, NSC635689, EINECS 207-451-4, HSDB 7468, AIDS135636, NSC 635689, AIDS-135636, C40H52O4, Astaxanthin, all-trans-, (3S,3'S)-, 3,3'-Dihydroxy-beta-carotene-4,4'-dione

Molecular Formula:	C₄₀H₅₂O₄	Molecular Weight:	596.838480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: MQZIGYBFDRPAKN-QISQUURKSA-N

• Astragalin

IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | CAS Registry Number: 480-10-4
Synonyms: Astragaline, kaempferol-3-glucoside, Kaempferol 3-glucoside, Kaempferol 3-O-glucoside, Kaempferol-3-D-glucoside, Kaempferol-3-O-glucoside, Kaempferol-3-beta-monoglucoside, Kaempferol-3-beta-glucopyranoside, MEGxp0_000168, ACon1_001224, CHEBI:30200, Kaempferol 3-O-beta-D-glucoside, AIDS051935, AIDS-051935, 3,4',5,7-Tetrahydroxyflavone-3-glucoside, Kaempferol 3-O-beta-D-glucopyranoside, Kaempferol-3-O-.beta.-D-glucopyranoside, NCGC00163580-01, LS-39675, C12249

Molecular Formula:	C₂₁H₂₀O₁₁	Molecular Weight:	448.376900 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	11

InChIKey: JPUKWEQWGBDDQB-QSOFNFLRSA-N

• Astragaloside

IUPAC Name: 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one | CAS Registry Number: 17429-69-5
Synonyms: 4H-1-Benzopyran-4-one, 3-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-

Molecular Formula:	C₂₈H₃₂O₁₇	Molecular Weight:	640.543480 [g/mol]
H-Bond Donor:	10	H-Bond Acceptor:	17

InChIKey: GPZLFWVUSQREQH-QDYVESOYSA-N

• Astragalus Extract

Synonyms: C41H68O14, LS-177832, 3beta,6alpha,16beta,20R,24S; astragaloside IV of astragaloside A, beta-D-Glucopyranoside, (3beta,6alpha,16beta,20R,24S)-20,24-epoxy-16,25-dihydroxy-3-(beta-D-xylopyranosyloxy)-9,19-cyclolanostan-6-yl

Molecular Formula:	C₄₁H₆₈O₁₄	Molecular Weight:	784.970220 [g/mol]
H-Bond Donor:	9	H-Bond Acceptor:	14

InChIKey: QMNWISYXSJWHRY-CSXKERSZSA-N

• Astragloside II

Synonyms: beta-D-Glucopyranoside, (3beta,6alpha,16beta,20R,24S)-3-((2-O-acetyl-beta-D-xylopyranosyl)oxy)-20,24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl

Molecular Formula:	C₄₃H₇₀O₁₅	Molecular Weight:	827.006900 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	15

InChIKey: LFJNPJBIDAQEHH-BXPIHXSGSA-N

• At-Tba

IUPAC Name: (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetate | CAS Registry Number: 86299-47-0
Synonyms: ZINC02149454, CID7004190

Molecular Formula:	C₁₃H₁₈N₃O₅S-	Molecular Weight:	328.364120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: FNRZBOJFRDVEOG-LZYBPNLTSA-M

• Atenolol

IUPAC Name: 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide | CAS Registry Number: 29122-68-7
Synonyms: atenolol, Tenormin, Tenormine, Blokium, duratenol, Duraatenolol, Antipressan, Blocotenol, Cardiopress, Internolol, Prenormine, Servitenol, Vericordin, Atcardil, Atehexal, Atenblock, Atenolin, Atenomel, Betablok, Betacard

Molecular Formula:	C₁₄H₂₂N₂O₃	Molecular Weight:	266.336080 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: METKIMKYRPQLGS-UHFFFAOYSA-N

• Atorvastatin

IUPAC Name: (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid | CAS Registry Number: 134523-00-5
Synonyms: atorvastatin, Torvast, Tozalip, Xavator, Cardyl, Sotis, atrovastin, Lipitor, Sortis, Lipitor (TN), Sortis (TN), Atorvastatin (INN), Atorvastatin [INN:BAN], ATORVASTATIN CALCIUM, CCRIS 7159, HSDB 7039, Atorvastatin (R-(R*,R*)), C33H35FN2O5, CHEBI:39548, CI 981

Molecular Formula:	C₃₃H₃₅FN₂O₅	Molecular Weight:	558.639803 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: XUKUURHRXDUEBC-KAYWLYCHSA-N

• Atorvastatin Calcium

IUPAC Name: calcium (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate | CAS Registry Number: 134523-03-8
Synonyms: Lipitor, atorvastatin, Prevencor, Lipibec, Torvast, Caduet, Sortis, Tahor, Mixture Name, ATORVASTATIN CALCIUM, Lipitor (TN), Atorvastatin calcium salt, Atorvastatin calcium [USAN], Atorvastatin calcium (USAN), 2C33H34FN2O5.Ca, CI-981, DRG-0321, CHEBI:50686, BB_SC-4721, YM-548

Molecular Formula:	C₆₆H₆₈CaF₂N₄O₁₀	Molecular Weight:	1155.341726 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	14

InChIKey: FQCKMBLVYCEXJB-MNSAWQCASA-L

• Atovaquone

IUPAC Name: 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione | CAS Registry Number: 95233-18-4
Synonyms: ATOVAQUONE, Mepron, Atavaquone, Malarone, Wellvone, Acuvel, Mixture Name, Malarone Pediatric, Compound 566, Mepron (TN), Spectrum_001743, SpecPlus_000686, Atovaquone (USP/INN), Mepron (antipneumocystic), Prestwick0_000534, Prestwick1_000534, Prestwick2_000534, Prestwick3_000534, Spectrum2_001665, Spectrum3_000991

Molecular Formula:	C₂₂H₁₉ClO₃	Molecular Weight:	366.837460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: BSJMWHQBCZFXBR-UHFFFAOYSA-N

• Atracurium Besilate

IUPAC Name: 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate | CAS Registry Number: 64228-79-1
Synonyms: Atracurium, Tracrium, Atracurium besilate, Atracurium Dibesylate, Prestwick1_000005, Prestwick2_000005, Prestwick3_000005, BSPBio_000009, SPBio_001930, BPBio1_000011, BW-33A, C53H70N2O12, CID47319, BRN 1523633, DB00732, LS-86151, AB00514743, C07548, 33 A 74, Isoquinolinium, 1,2,3,4-tetrahydro-2,2'-(1,5-pentanediylbis(oxy(3-oxo-3,1-propanediyl)))bis(1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-2-methyl-

Molecular Formula:	C₅₃H₇₂N₂O₁₂+₂	Molecular Weight:	929.144980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	12

InChIKey: YXSLJKQTIDHPOT-UHFFFAOYSA-N

• Atracurium Besylate

IUPAC Name: benzenesulfonate; benzenesulfonate; 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate | CAS Registry Number: 64228-81-5
Synonyms: Tracrium, Atracurium besylate, Atracurium besilate, Atracurium, Nimbex, Tracrium (TN), Ambap2477, Tracrium Preservative Free, Atracurium besilate (INN), Atracurium besylate (USP), Atracurii besilas [INN-Latin], BW 33A, BW-33A, Atracurium besylate [USAN:BAN], A7604_SIGMA, BW 33 A, Besilate d'atracurium [INN-French], EINECS 264-743-4, Besilato de atracurio [INN-Spanish], C53H72N2O12

Molecular Formula:	C₆₅H₈₂N₂O₁₈S₂	Molecular Weight:	1243.479180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	18

InChIKey: XXZSQOVSEBAPGS-UHFFFAOYSA-L

• Atracylodin

IUPAC Name: 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan | CAS Registry Number: 55290-63-6
Synonyms: Atractylodin, CID5321047, (E,E)-2-(1,7-Nonadiene-3,5-diynyl)furan, Furan, 2-(1,7-nonadiene-3,5-diynyl)-, (E,E)-

Molecular Formula:	C₁₃H₁₀O	Molecular Weight:	182.217900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: GRBKWAXRYIITKG-QFMFQGICSA-N

• Atranorin

IUPAC Name: methyl 4-(3-formyl-2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoate | CAS Registry Number: 479-20-9
Synonyms: Atranorine, Parmelin, Usnarin, Antranoric acid, Atranoric acid, Parmelin acid, Usnarin acid, Spectrum_000143, SpecPlus_000239, Spectrum2_001749, Spectrum3_001716, Spectrum4_001700, Spectrum5_000380, BSPBio_003332, KBioGR_002000, KBioSS_000623, SPECTRUM200034, DivK1c_006335, SPBio_001858, EINECS 207-527-7

Molecular Formula:	C₁₉H₁₈O₈	Molecular Weight:	374.341420 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: YLOYKYXNDHOHHT-UHFFFAOYSA-N

• Atrazine

IUPAC Name: 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine | CAS Registry Number: 1912-24-9
Synonyms: atrazine, Oleogesaprim, Chromozin, Atazinax, Atrasine, Fenatrol, Gesaprim, Gesoprim, Hungazin, Primatol, Strazine, Aktikon, Argezin, Atranex, Atrazin, Fenamin, Pitezin, Primaze, Radazin, Zeazine

Molecular Formula:	C₈H₁₄ClN₅	Molecular Weight:	215.683260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: MXWJVTOOROXGIU-UHFFFAOYSA-N

• Aucubin

IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 479-98-1
Synonyms: Ambap2262, MEGxp0_001729, 55561_FLUKA, ACon1_002452, EINECS 207-540-8, AIDS031379, NSC 407293, AIDS-031379, CID91458, LMPR01020107, NSC407293, ZINC04098334, NCGC00169833-01, LS-183147, C09771, 1,4a,5,7a-Tetrahydro-5-hydroxy-7-hydroxymethylcyclopenta(c)pyran-1-yl-beta-D-glucopyranoside, (1S-(1alpha,4aalpha,5alpha,7aalpha))-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl-beta-D-glucopyranoside, (2S,3R,4S,5S,6R)-2-((1S,4aR,5R,7aS)-5-Hydroxy-7-hydroxymethyl-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-1-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol

Molecular Formula:	C₁₅H₂₂O₉	Molecular Weight:	346.329780 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	9

InChIKey: RJWJHRPNHPHBRN-FKVJWERZSA-N

• Aureusidin

IUPAC Name: 2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one | CAS Registry Number: 480-70-6
Synonyms: 2-(3,4-dihydroxybenzylidene)-4,6-dihydroxy-1-benzofuran-3(2H)-one, SureCN574845, AC1L4WY5, CTK7J8831, LMPK12130041, AG-J-59171, A827460, 2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-3-benzofuranone, 2-[(3,4-dihydroxyphenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one, 2-[[3,4-bis(oxidanyl)phenyl]methylidene]-4,6-bis(oxidanyl)-1-benzofuran-3-one

Molecular Formula:	C₁₅H₁₀O₆	Molecular Weight:	286.236300 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: WBEFUVAYFSOUEA-UHFFFAOYSA-N

• Avobenzone

IUPAC Name: 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione | CAS Registry Number: 70356-09-1
Synonyms: Photoplex, Capital Soleil, Mixture Name, Anthelios SX, Parsol 1789, Avobenzone [USAN:INN], Avobenzonum [INN-Latin], Spectrum_001715, Avobenzona [INN-Spanish], SpecPlus_000764, Avobenzone (USP/INN), Butyl methoxydibenzoylmethane, Spectrum2_001663, Spectrum3_000990, Spectrum4_001116, Spectrum5_001358, BSPBio_002659, KBioGR_001592, KBioSS_002195, DivK1c_006860

Molecular Formula:	C₂₀H₂₂O₃	Molecular Weight:	310.386880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: XNEFYCZVKIDDMS-UHFFFAOYSA-N

• Azacyclonol Base

IUPAC Name: di(phenyl)-piperidin-4-ylmethanol | CAS Registry Number: 115-46-8
Synonyms: Azacyclonol, Frenquel, gamma-Pipradol, Prestwick_84, Azaciclonolo [DCIT], Azacyclonolum [INN-Latin], Azacyclonol [INN:BAN], Maybridge3_001033, Prestwick0_000093, Prestwick1_000093, Prestwick2_000093, Prestwick3_000093, alpha-(4-Piperidyl)benzhydrol, MER 17, Oprea1_114075, Oprea1_848733, BSPBio_000046, Diphenyl-piperidin-4-yl-methanol, MLS000558844, MLS001201777

Molecular Formula:	C₁₈H₂₁NO	Molecular Weight:	267.365440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: ZMISODWVFHHWNR-UHFFFAOYSA-N

• Azamethiphos

IUPAC Name: 6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one | CAS Registry Number: 35575-96-3
Synonyms: Snip, Azamethiophos, Azamethphos, Actogard, Azamethiphos [BAN], Actogard (TN), Azamethiphos (BAN), Ciba-Geigy 18809, C9H10ClN2O5PS, OMS No 1825, 45331_RIEDEL, CHEBI:38578, EINECS 252-626-0, CGA 18809, CID71482, BRN 1086470, AI3-29129, NCGC00163926-01, NCGC00163926-02, LS-108475

Molecular Formula:	C₉H₁₀ClN₂O₅PS	Molecular Weight:	324.677861 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: VNKBTWQZTQIWDV-UHFFFAOYSA-N

• Azasetron

IUPAC Name: N-(1-azabicyclo[2.2.2]octan-8-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide | CAS Registry Number: 123040-69-7
Synonyms: Nazasetron, Azasetron [INN], Azasetron (INN), Ambap1302, Azasetron [superceded RN], azasetron, (+-)-isomer, Biomol-NT_000105, C17H20ClN3O3.HCl, C17H20ClN3O3, BPBio1_001397, NCGC00024563-02, LS-172550, LS-172551, TL8000615, D07481, Y 25130, Y-25130, (- )-6-Chloro-3,4-dihydro-4-methyl-3-oxo-N-3-quinuclidinyl-2H-1,4-benzoxazine-8-carboxamide, 2H-1,4-Benzoxazine-8-carboxamide, N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, monohydrochloride, (+-)-6-Chloro-3,4-dihydro-4-methyl-3-oxo-N-3-quinuclidinyl-2H-1,4-benzoxazine-8-carboxamide

Molecular Formula:	C₁₇H₂₀ClN₃O₃	Molecular Weight:	349.812000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: WUKZPHOXUVCQOR-UHFFFAOYSA-N

• Azasetron hydrochloride

IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride | CAS Registry Number: 141922-90-9
Synonyms: azasetron hydrochloride, Serotone, Azasetron, 123040-16-4, Y 25130, C17H20ClN3O3.HCl, Y-25130, 123040-69-7, 2H-1,4-Benzoxazine-8-carboxamide, 3,4-dihydro-N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-4-methyl-3-oxo-, monohydrochloride, 2H-1,4-Benzoxazine-8-carboxamide, N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, monohydrochloride, N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide hydrochloride, SMR000466285, Azasetron HCl, Serotone (TN), Nazasetron hydrochloride, AC1L3GCQ, NPFAPI-08, SureCN442156, MLS000758245, MLS001424223

Molecular Formula:	C₁₇H₂₁Cl₂N₃O₃	Molecular Weight:	386.272940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: DBMKBKPJYAHLQP-UHFFFAOYSA-N

• Azathioprine

IUPAC Name: 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine | CAS Registry Number: 446-86-6
Synonyms: azathioprine, Azothioprine, Azathioprin, Azatioprin, Imuran, Rorasul, Azamun, Azanin, Ccucol, Imurek, Imurel, Muran, Cytostatics, Immuran, Azasan, azatiopr in, Azamun [Czech], Azathioprine sodium, Imuran (TN), Prestwick_41

Molecular Formula:	C₉H₇N₇O₂S	Molecular Weight:	277.262580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: LMEKQMALGUDUQG-UHFFFAOYSA-N

• Azelaic Acid

IUPAC Name: nonanedioic acid | CAS Registry Number: 123-99-9
Synonyms: azelaic acid, NONANEDIOIC ACID, Lepargylic acid, Anchoic acid, Finacea, Azelex, Azelainsaeure, Nonandisaeure, Skinorem, Skinoren, Finevin, acide azelaique, Azelainic acid, acidum azelaicum, Azalaic Acid, Azleaic Acid, 1,9-Nonanedioic acid, n-Nonanedioic acid, Heptanedicarboxylic acid, 1tuf

Molecular Formula:	C₉H₁₆O₄	Molecular Weight:	188.220940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: BDJRBEYXGGNYIS-UHFFFAOYSA-N

• Azelastine HCI

IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one hydrochloride | CAS Registry Number: 79307-93-0
Synonyms: Astelin, Azeptin, Optivar, Allergodil, Radethazin, Corifina, Optilast, Rhinolast, Astepro, Afluon, Azep, AZELASTINE HCl, Astelin (TN), AZELASTINE HYDROCHLORIDE, Azelastine monohydrochloride, C22H24ClN3O.HCl, MLS001401427, SPECTRUM1505340, W-2979M, Azelastine hydrochloride [USAN:JAN]

Molecular Formula:	C₂₂H₂₅Cl₂N₃O	Molecular Weight:	418.359400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: YEJAJYAHJQIWNU-UHFFFAOYSA-N