Shanghai AoBo Bio-pharmaceutical Technology Co., Ltd

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Address: Room 5, No. 538, Cailun Road, Zhangjiang High-Tech Park, Pudong, Shanghai 201203, China
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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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• Adonitol

IUPAC Name: (2S,4R)-pentane-1,2,3,4,5-pentol | CAS Registry Number: 488-81-3
Synonyms: adonitol, xylitol, Xylite, ribitol, Pentitol, Adonite, Xyliton, Adonit, Eutrit, Kannit, Klinit, Newtol, D-Xylitol, D-ribitol, meso-ribitol, meso-xylitol, Xylit, Xylite (sugar), L-arabitol, D-Adonitol

Molecular Formula:	C₅H₁₂O₅	Molecular Weight:	152.145780 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	5

InChIKey: HEBKCHPVOIAQTA-NGQZWQHPSA-N

• Adrenal

IUPAC Name: 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol | CAS Registry Number: 51-43-4
Synonyms: epinephrine, l-Adrenaline, adrenaline, Adrenalin, Levoepinephrine, L-epinephrine, Adrenalinum, Epinephran, Epipen, l-Epirenamine, Antiasthmatique, Methylarterenol, Esphygmogenina, Hypernephrin, Isoptoepinal, Racepinephrine, Renostypticin, Sphygmogenin, Stryptirenal, Supracapsulin

Molecular Formula:	C₉H₁₃NO₃	Molecular Weight:	183.204420 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: UCTWMZQNUQWSLP-VIFPVBQESA-N

• Adrenalone hydrochloride

IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone hydrochloride | CAS Registry Number: 62-13-5
Synonyms: Stryphnonasal, Stryphnasal, Adrenone hydrochloride, Kephrine hydrochloride, Adrenalonium chloratum, Stryphnasal (TN), ADRENALONE HCL, Epinephrine ketone hydrochloride, ADRENALONE, HYDROCHLORIDE, NSC 9407, 02270_FLUKA, EINECS 200-525-7, NSC9407, WLN: QR BQ DV1M1 &GH, AIDS018742, AIDS-018742, p-METHYLAMINOACETOCATECHOL HCl, SBB003372, LS-13493, 3',4'-Dihydroxy-2-(methylamino)acetophenone hydrochloride

Molecular Formula:	C₉H₁₂ClNO₃	Molecular Weight:	217.649480 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: CSRRBDMYOUQTCO-UHFFFAOYSA-N

• Adrenochrome

IUPAC Name: 3-hydroxy-1-methyl-2,3-dihydroindole-5,6-dione | CAS Registry Number: 54-06-8
Synonyms: Adraxone, 1-Adrenochrome, USAF uctl-7, ADRENOCHROME, L-, C9H9NO3, A5752_SIGMA, 3-Hydroxy-1-methyl-5,6-indolinedione, EINECS 200-192-8, NSC407840, 3-Hydroxy-1-methylindoline-5,6-dione, NSC383491, NCGC00163348-01, LS-83454, 5,6-INDOLINEDIONE, 3-HYDROXY-1-METHYL-, A-3200, 2,3-Dihydro-3-hydroxy-1-methyl-1H-indole-5,6-dione, 1H-Indole-5,6-dione, 2,3-dihydro-3-hydroxy-1-methyl-, 1H-Indole-5,6-dione, 2,3-dihydro-3-hydroxy-1-methyl- (9CI), 7506-92-5

Molecular Formula:	C₉H₉NO₃	Molecular Weight:	179.172660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: RPHLQSHHTJORHI-UHFFFAOYSA-N

• Adriamycin

IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | CAS Registry Number: 23214-92-8
Synonyms: doxorubicin, Adriblastina, Adriablastin, Adriblastin, Doxil, Adriacin, Rubex, Adriblas tina, Doxorubicin HCl, 14-Hydroxydaunomycin, Adriamycin PFS, Adriamycin RDF, 14-Hydroxydaunorubicine, Adriamycin semiquinone, Adriblastina (TN), nchembio809-comp5, DOXO, Doxorubicin Hydrochloride, Doxorubicine [INN-French], Doxorubicinum [INN-Latin]

Molecular Formula:	C₂₇H₂₉NO₁₁	Molecular Weight:	543.519260 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	12

InChIKey: AOJJSUZBOXZQNB-TZSSRYMLSA-N

• Aerosil

IUPAC Name: dioxosilane | CAS Registry Number: 7631-86-9
Synonyms: Silica, Quartz, Cristobalite, Sand, Diatomite, Tridymite, Silicic anhydride, SILICON DIOXIDE, Infusorial earth, Christensenite, Crystoballite, Sillikolloid, Chalcedony, Dioxosilane, Novaculite, Spectrosil, Superfloss, Accusand, Amethyst, Cataloid

Molecular Formula:	O₂Si	Molecular Weight:	60.084300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: VYPSYNLAJGMNEJ-UHFFFAOYSA-N

• Aflatoxin B

Synonyms: AFLATOXIN B1, Aflatoxin-B1, AFBI, AFB1, CCRIS 12, HSDB 3453, HSDB-3453, Aflatoxin B1, cis(+,-)-Isomer, AIDS130418, AIDS-130418, EINECS 214-603-3, LMPK02000020, NSC529592, NSC 529592, NSC-529592, BRN 1269174, Aflatoxin B1, (6aR-cis)-Isomer, 2H-Labeled, Aflatoxin B1, (6aR-cis)-Isomer, 3H-Labeled, C06800, Aflatoxin B1 Dihydrochloride, (6aR-cis)-Isomer

Molecular Formula:	C₁₇H₁₂O₆	Molecular Weight:	312.273580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: OQIQSTLJSLGHID-UHFFFAOYSA-N

• Aflatoxin G

Synonyms: Aflatoxin, AFLATOXIN G1, Aflatoxin, crude, AFLATOXINS, Aflatoxin G1 solution, CCRIS 14, 46325U_SUPELCO, HSDB 3455, A0138_SIGMA, 34032_RIEDEL, EINECS 214-615-9, HSDB 3411, CID14421, BRN 1299768, CPD-10178, LS-15307, LS-70763, 5-19-12-00081 (Beilstein Handbook Reference), (7AR,cis)3,4,7a,10a-tetrahydro-5-methoxy-1H,12H-furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)chromene-1,12-dione, 1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a,10a-tetrahydro-5-methoxy-

Molecular Formula:	C₁₇H₁₂O₇	Molecular Weight:	328.272980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: XWIYFDMXXLINPU-UHFFFAOYSA-N

• Aflatoxin G2

IUPAC Name: 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one | CAS Registry Number: 7241-98-7

Molecular Formula:	C₁₈H₁₈ClNO₄	Molecular Weight:	347.792820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: BHCOKYJYXDKTPG-UHFFFAOYSA-N

• Afloqualone

IUPAC Name: 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one | CAS Registry Number: 56287-74-2
Synonyms: afloqualone, Arofuto, Afloqualon, Aroft, Airomate, Airomate (TN), Afloqualone [INN:JAN], Afloqualonum [INN-Latin], Afloqualona [INN-Spanish], Afloqualone (JP15/INN), C16H14FN3O, CID2040, HQ 495, BRN 0819769, HQ-495, LS-140303, D01638, 5-25-15-00102 (Beilstein Handbook Reference), 6-Amino-2-(fluoromethyl)-3-o-tolyl-4(3H)-chinazolinon, C033541

Molecular Formula:	C₁₆H₁₄FN₃O	Molecular Weight:	283.300263 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: VDOSWXIDETXFET-UHFFFAOYSA-N

• Aglepristone

IUPAC Name: (8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-[(Z)-prop-1-enyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 124478-60-0
Synonyms: Alizine, Alizine (TN), Aglepristone (INN), D07096

Molecular Formula:	C₂₉H₃₇NO₂	Molecular Weight:	431.609580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: RTCKAOKDXNYXEH-FWSJOHTJSA-N

• Ajmalicine

Synonyms: Yohimbine, Yohimbin, Quebrachin, Quebrachine, Corynine, Aphrosol, corynanthine, Rauwolscine, APHRODINE, Johimbin, Yohimex, Yocon, (+)-Yohimbine, Yohimbic acid methyl ester, (+)-Yohimbin, Corynanthine tartrate, nchembio705-2, Prestwick0_000584, Prestwick1_000584, Prestwick2_000584

Molecular Formula:	C₂₁H₂₆N₂O₃	Molecular Weight:	354.442740 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: BLGXFZZNTVWLAY-SCYLSFHTSA-N

• Ajmaline

Synonyms: ajmaline, Ajimalin, Ajimalin (TN), (+)-Ajmaline, Ajmaline (JP15), ajmalan-17alpha,21alpha-diol, CHEBI:28462, C06542, D00199

Molecular Formula:	C₂₀H₂₆N₂O₂	Molecular Weight:	326.432640 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: CJDRUOGAGYHKKD-HEFSZTOGSA-N

• Ala-leu-ala-leu

IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoic acid | CAS Registry Number: 84676-48-2
Synonyms: ALAL, Alanyl-leucyl-alanyl-leucine, CID134813, L-Leucine, N-(N-(N-L-alanyl-L-leucyl)-L-alanyl)-

Molecular Formula:	C₁₈H₃₄N₄O₅	Molecular Weight:	386.486360 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: KQRHTCDQWJLLME-XUXIUFHCSA-N

• Alacepril

IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid | CAS Registry Number: 74258-86-9
Synonyms: alacepril, Cetapril, aracepril, Alaceprilum [Latin], Cetapril (TN), Alacepril [INN:JAN], Ambap5418, Alacepril (JP15/INN), C20H26N2O5S, NSC 338157, CID71992, DU 1219, DU-1219, BRN 3634372, LS-105750, D01900, 1-(D-3-Acetylthio-2-methylpropanoyl)-L-prolyl-L-phenylalanine, N-(2-((S)-3-Acetylthio-2-methylpropionyl)propyl)-3-phenylalanin, L-Phenylalanine, N-(1-(3-(acetylthio)-2-methyl-1-oxopropyl)-L-prolyl)-, (S)-, N-(1-((S)-3-Mercapto-2-methylpropionyl)-L-prolyl)-3-phenyl-L-alanine acetate (ester)

Molecular Formula:	C₂₀H₂₆N₂O₅S	Molecular Weight:	406.495840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: FHHHOYXPRDYHEZ-COXVUDFISA-N

• Alachlor

IUPAC Name: 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide | CAS Registry Number: 15972-60-8
Synonyms: alachlor, Alachlore, Metachlor, Lasso, Methachlor, Alochlor, Chimiclor, Lasagrin, Pillarzo, Alanex, Alanox, Lasso micro-tech, Alachlor technical, Alachlor solution, LAZO, Alatox 480, Caswell No. 011, Alachlore [ISO-French], Spectrum_001859, SpecPlus_000470

Molecular Formula:	C₁₄H₂₀ClNO₂	Molecular Weight:	269.767100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XCSGPAVHZFQHGE-UHFFFAOYSA-N

• Alantolactone

IUPAC Name: (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one | CAS Registry Number: 546-43-0
Synonyms: helenine, Eupatal, Alant camphor, Inula camphor, helenin, Elecampane camphor, Spectrum_000297, Spectrum2_000297, Spectrum3_001358, Spectrum4_001772, Spectrum5_000383, BSPBio_003175, KBioGR_002284, KBioSS_000777, SPECTRUM310010, NSC93131, SPBio_000234, CHEBI:2540, STOCK1N-11111, EINECS 208-899-3

Molecular Formula:	C₁₅H₂₀O₂	Molecular Weight:	232.318100 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: PXOYOCNNSUAQNS-AGNJHWRGSA-N

• Alarelin

IUPAC Name: acetic acid; N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide | CAS Registry Number: 79561-22-1
Synonyms: GnRHa cpd, LHRH-A, Ala(6)-gly(10)-gnrh, 6-D-Ala-10-D-gly-LHRH-ethylamide, LHRH, ala(6)-gly(10)-ethylamide-, LHRH, alanine(6)-glycine(10)-ethylamide-, LS-88255, 10-Des-gly,6-(D-ala)-LHRH ethylamide, acetate salt, des-Gly(sup 10),(D-Ala(sup 6))-LHRH-ethylamide, C083781, Luteinizing hormone-releasing factor(pig), 6-D-alanine-9-(N-ethyl-L-prolinamide)-10-deglycinamide-, diacetate (salt)

Molecular Formula:	C₆₀H₈₆N₁₆O₁₆	Molecular Weight:	1287.422440 [g/mol]
H-Bond Donor:	17	H-Bond Acceptor:	22

InChIKey: DPWSRXJWCYEGIV-CWMZTGDLSA-N

• Albendazole

IUPAC Name: methyl N-(6-propylsulfanyl-1H-benzimidazol-2-yl)carbamate | CAS Registry Number: 54965-21-8
Synonyms: albendazole, Valbazen, Albenza, Eskazole, Zentel, Proftril, Bilutac, Metiazol, Zental, Albendoral, Bendapar, Digezanol, Disthelm, Endoplus, Gascop, Lurdex, Prestwick_675, Albenza (TN), Mediamix V Disthelm, Disthelm, Mediamix V

Molecular Formula:	C₁₂H₁₅N₃O₂S	Molecular Weight:	265.331400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: HXHWSAZORRCQMX-UHFFFAOYSA-N

• Albiflorin

Synonyms: 9-((Benzoyloxy)methyl)-1-(beta-D-glucopyranosyloxy)-4-hydroxy-6-methyl-7-oxatricyclononan-8-one

Molecular Formula:	C₂₃H₂₈O₁₁	Molecular Weight:	480.461820 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	11

InChIKey: QQUHMASGPODSIW-RPLHGOISSA-N

• Albizzin

IUPAC Name: (2S)-2-amino-3-(carbamoylamino)propanoic acid | CAS Registry Number: 1483-07-4
Synonyms: Albizziin, L-Albizziine, Albizzine, L-Albizziin, Albizziin (VAN), 3-Ureido-L-alanin, L-beta-Ureidoalanine, Ambap7483, L-2-Amino-3-ureidopropionic acid, 861456_ALDRICH, EINECS 216-046-1, L-Alanine, 3-((aminocarbonyl)amino)-, NSC 132089, NSC 407273, L-(-)-2-Amino-3-ureidopropionic acid, Propionic acid, 2-amino-3-ureido-, L-, A-4650, C08264, L-(−)-2-Amino-3-ureidopropionic acid

Molecular Formula:	C₄H₉N₃O₃	Molecular Weight:	147.132560 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: GZYFIMLSHBLMKF-REOHCLBHSA-N

• Aldicarb

IUPAC Name: [(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate | CAS Registry Number: 116-06-3
Synonyms: aldicarb, Temik, Carbamyl, Sulfone aldoxycarb, aldicarb+, Aldicarb [ISO], Aldicarbe [French], Temik G10, Temik 10 G, Caswell No. 011A, TEMIK G, Union carbide 21149, RCRA waste no. P070, RCRA waste number P070, CCRIS 17, Spectrum5_002022, Union carbide UC-21149, PS734_SUPELCO, BSPBio_002463, SPECTRUM330061

Molecular Formula:	C₇H₁₄N₂O₂S	Molecular Weight:	190.263260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: QGLZXHRNAYXIBU-WEVVVXLNSA-N

• Aldosterone

IUPAC Name: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde | CAS Registry Number: 52-39-1
Synonyms: ALDOSTERONE, Electrocortin, Aldocortin, Elektrocortin, Aldocorten, Aldocortene, d-Aldosterone, Reichstein X, (+)-Aldosterone, 18-Oxocorticosterone, 18-Aldocorticosterone, Aldosteronum [INN-Latin], Aldosterona [INN-Spanish], MLS001333163, MLS001333164, A9477_SIGMA, Aldosterone [BAN:DCF:INN], Aldosterone [INN:BAN:DCF], NSC 73856, CHEBI:27584

Molecular Formula:	C₂₁H₂₈O₅	Molecular Weight:	360.444020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: PQSUYGKTWSAVDQ-ZVIOFETBSA-N

• Alendronate Sodium

IUPAC Name: sodium (4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate trihydrate | CAS Registry Number: 121268-17-5
Synonyms: Alendros, Adronat, Elandor, Fosalan, Fosamax, Dronal, ALENDRONATE SODIUM, Fosamax (TN), Alendronate sodium hydrate, Sodium alendronate hydrate, Alendronate sodium [USAN], Alendronate sodium (USAN), Alendronate sodium trihydrate, A4978_SIGMA, CHEBI:2566, Alendronate sodium hydrate (JAN), CID60736, MK-217, Alendronic acid monosodium salt trihydrate, LS-106424

Molecular Formula:	C₄H₁₈NNaO₁₀P₂	Molecular Weight:	325.123712 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	11

InChIKey: DCSBSVSZJRSITC-UHFFFAOYSA-M

• Alfacalcidol

IUPAC Name: (1R,3S,5E)-5-[(2Z)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 41294-56-8
Synonyms: alfacalcidol, 1alpha-Hydroxypregnacalciferol, LMST03020661, CID5284515, (1S,3R,5E,7Z)-9,10-secocholesta-5,7,10-triene-1,3-diol, (5E,7Z)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol

Molecular Formula:	C₂₇H₄₄O₂	Molecular Weight:	400.637060 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: OFHCOWSQAMBJIW-GITLSTMWSA-N

• Alfuzosin

IUPAC Name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide | CAS Registry Number: 81403-80-7
Synonyms: alfuzosin, alphuzosine, Alfusosine, Xatral, Alfuzosine [French], Alfuzosinum [Latin], Alfuzosin (INN), Alfuzosina [Spanish], Xatral (TN), Alfuzosin Hydrochloride, Alfuzosin [INN:BAN], Prestwick0_000322, Prestwick1_000322, Prestwick2_000322, Prestwick3_000322, Spectrum2_000505, Spectrum3_001063, Spectrum4_001208, Spectrum5_000817, BSPBio_000323

Molecular Formula:	C₁₉H₂₇N₅O₄	Molecular Weight:	389.448780 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: WNMJYKCGWZFFKR-UHFFFAOYSA-N

• Alfuzosin HCL

IUPAC Name: N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide hydrochloride | CAS Registry Number: 81403-68-1
Synonyms: Uroxatral, Alfoten, Xatral, Urion, alfuzosin, Alfetim, Alfuzosin Hydrochloride, Xatral Retard, Xatral OD, Xatral SR, Xatral XL, Uroxatral (TN), Alfuzosin hydrochloride [USAN], C19H27N5O4, Alfuzosin hydrochloride (JAN/USAN), LS-70107, SL 77499-10, SL-77499, SL 77 499-10, SL-7749910

Molecular Formula:	C₁₉H₂₈ClN₅O₄	Molecular Weight:	425.909720 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: YTNKWDJILNVLGX-UHFFFAOYSA-N

• Alibendol

IUPAC Name: 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-prop-2-enylbenzamide | CAS Registry Number: 26750-81-2
Synonyms: Alibendolum [INN-Latin], Ambap5414, Alibendol [DCF:INN], Alibendol [INN:DCF], FC 54, C13H17NO4, EINECS 247-960-9, CID71916, BRN 2735959, NCGC00164629-01, LS-25268, TL8002126, 5-Allyl-N-(2-hydroxyethyl)-3-methoxysalicylamide, Benzamide, 5-allyl-2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-, m-Anisamide, 5-allyl-2-hydroxy-N-(2-hydroxyethyl)-, Hydroxy-2 methoxy-3 allyl-5 N-(beta-hydroxy ethyl)benzamide [French], m-Anisamide, 5-allyl-2-hydroxy-N-(2-hydroxyethyl)- (8CI), Benzamide, 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propenyl)-, Benzamide, 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propenyl)- (9CI)

Molecular Formula:	C₁₃H₁₇NO₄	Molecular Weight:	251.278380 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: UMJHTFHIQDEGKB-UHFFFAOYSA-N

• Alizapride

IUPAC Name: 6-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-2H-benzotriazole-5-carboxamide | CAS Registry Number: 59338-93-1
Synonyms: Plitican, Vergentan, Limican, Liticum, Alizapride [INN], Plitican (TN), Alizapride (INN), Alizapridum [INN-Latin], Alizaprida [INN-Spanish], Ambap6304, EINECS 261-710-6, C16H21N5O2, BRN 6432438, DB01425, MS 5080, MS-5080, LS-41534, D07102, N-((1-Allyl-2-pyrrolidinyl)methyl)-6-methoxy-1H-benzotriazole-5-carboxamide, 1H-Benzotriazole-5-carboxamide, 6-methoxy-N-((1-(2-propenyl)-2-pyrrolidinyl)methyl)-

Molecular Formula:	C₁₆H₂₁N₅O₂	Molecular Weight:	315.370240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: KSEYRUGYKHXGFW-UHFFFAOYSA-N

• Alizarin complexone

IUPAC Name: 2-[carboxymethyl-[(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]amino]acetic acid | CAS Registry Number: 3952-78-1
Synonyms: Alizarin complexon, Alizarinkomplexon, Alizarine complexon, Alizarine complexone, Alizarin Fluorine Blue, Alizarine Fluorine Blue, Alizarin complexone dihydrate, A3882_SIGMA, 05590_FLUKA, C19H15NO8, EINECS 223-544-2, 3-Aminomethylalizarin-N,N-diacetic acid, AIDS001388, Alizarin-3-methyliminodiacetic acid, NSC 293056, AIDS-001388, BRN 2190028, NSC293056, LS-11776, Alizarine-3-methylimino-N,N-diacetic acid

Molecular Formula:	C₁₉H₁₅NO₈	Molecular Weight:	385.324300 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: PWIGYBONXWGOQE-UHFFFAOYSA-N

• Alizarin rubinol R

Synonyms: Fenalan Ruby R, Solway Rubinol R, Supracen Red 3B, Erionyl Rubine ER, Alizarine Rubine R, Superian Rubinol R, Solway Rubinole RA, Alizarine Rubinol R, Erio Fast Rubine R, Ahcoquinone Rubine R, Anthraquinone Rubine R, ALIZARIN RUBINOL, Alizarine Light Red R, Alizarine Rubinol R-CF, Erionyl Rubine E-2BFL, Alizarine Direct Red 2B, Erio Anthracene Rubine R, C.I. Acid Red 80, Nylomine Acid Red B-5B, EINECS 224-759-4

Molecular Formula:	C₂₄H₁₇N₂NaO₅S	Molecular Weight:	468.456950 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: RNTNZRPCYDDMIA-UHFFFAOYSA-M

• Alizarin Yellow R

IUPAC Name: (3E)-3-[(4-nitrophenyl)hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid | CAS Registry Number: 2243-76-7
Synonyms: Pnbas, Magracrom Orange, Chrome Orange N, Chrome Orange R, Kenachrome Orange, Terracotta 2RN, Terra Cotta RRN, Chrome Orange MR, Alizarol Orange R, Fenakrom Orange R, Alizarine Orange R, Alizarine Yellow P, Alizarine Yellow R, Chromacid Orange S, Eniacromo Orange R, Hispacrom Orange R, Chrome Orange RLE, Alphacroic Orange R, Azochromal Orange R, Chrome Yellow 3RN

Molecular Formula:	C₁₃H₉N₃O₅	Molecular Weight:	287.227660 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: RTQYUQUDISIJCV-OQLLNIDSSA-N

• Alizarin-5-sulfonic acid

IUPAC Name: 5,6-dihydroxy-9,10-dioxoanthracene-1-sulfonic acid | CAS Registry Number: 6373-42-8
Synonyms: Alizarin-5-sulfonic Acid, ALIZARIN-5-SULFONICACID, SCHEMBL5309175, O111, FT-0636124

Molecular Formula:	C₁₄H₈O₇S	Molecular Weight:	320.274120 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: ZJURSVKCUMCGMF-UHFFFAOYSA-N

• Allantoic acid

IUPAC Name: 2,2-bis(carbamoylamino)acetic acid | CAS Registry Number: 99-16-1
Synonyms: allantoate, Diureidoacetic acid, Oprea1_555230, bis(carbamoylamino)acetic acid, A7753_SIGMA, CID203, CHEBI:30837, Bis((aminocarbonyl)amino)acetic acid, Bis[(aminocarbonyl)amino]acetic acid, EINECS 202-735-4, acetic acid, bis((aminocarbonyl)amino)-, Acetic acid, bis[(aminocarbonyl)amino]-, ST5411710, C00499, SR-01000640521-1

Molecular Formula:	C₄H₈N₄O₄	Molecular Weight:	176.130720 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	4

InChIKey: NUCLJNSWZCHRKL-UHFFFAOYSA-N

• Allantoin

IUPAC Name: (2,5-dioxoimidazolidin-4-yl)urea | CAS Registry Number: 97-59-6
Synonyms: allantoin, Glyoxyldiureide, Cordianine, 5-Ureidohydantoin, Glyoxyldiureid, Allantol, Alantan, Sebical, Cutemol emollient, Uniderm A, AVC/Dienestrolcream, Ureidohydantoin, Hemocane, Psoralon, Septalan, Paxyl, Hydantoin, 5-ureido-, DL-Allantoin, Caswell No. 024, Glyoxylic diureide

Molecular Formula:	C₄H₆N₄O₃	Molecular Weight:	158.115440 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	3

InChIKey: POJWUDADGALRAB-UHFFFAOYSA-N

• Allethrin

IUPAC Name: (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate | CAS Registry Number: 584-79-2
Synonyms: Bioallethrin, Pallethrine, ALLETHRIN, Allethrine, Pyrethrin, Pynamin, Pyresin, Pyresyn, trans-Allethrin, Esdepallethrine, D-Allethrin, Depallethrin, Esbioallethrin, Esbiothrin, Allyl cinerin I, Exthrin, Esbiol, Necarboxylic acid, Matox, Allethrin coil

Molecular Formula:	C₁₉H₂₆O₃	Molecular Weight:	302.407940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZCVAOQKBXKSDMS-UHFFFAOYSA-N

• Alliin

IUPAC Name: (2R)-2-amino-3-prop-2-enylsulfinylpropanoic acid | CAS Registry Number: 556-27-4
Synonyms: SPECTRUM1505190, 3-(Allylsulphinyl)-L-alanine, CID87310, EINECS 241-773-6, C08265, 17795-26-5

Molecular Formula:	C₆H₁₁NO₃S	Molecular Weight:	177.221440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XUHLIQGRKRUKPH-ITZCMCNPSA-N

• Allo-Purinol

IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one | CAS Registry Number: 315-30-0
Synonyms: allopurinol, Zyloprim, Lopurin, Zyloric, Uripurinol, Atisuril, Bleminol, Embarin, Foligan, Milurit, Progout, Urosin, Anoprolin, Cellidrin, Epidropal, Suspendol, Alositol, Apulonga, Bloxanth, Caplenal

Molecular Formula:	C₅H₄N₄O	Molecular Weight:	136.111460 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: OFCNXPDARWKPPY-UHFFFAOYSA-N

• Allocryptopine

Synonyms: Thalictrimine, Allocrytopine, alpha-Fagarine, Fagarine I, alpha-Allocryptopine, beta-Homochelidonine, .alpha.-Fagarine, beta-Allocryptopine, .alpha.-Allocryptopine, gamma-Homochelidonine, .beta.-Allocryptopine, .beta.-Homochelidonine, .gamma.-Homochelidonine, Taliktrimin (thalictrimine), Oprea1_535693, Oprea1_700961, MLS000765018, MEGxp0_001784, ACon1_000293, CHEBI:17390

Molecular Formula:	C₂₁H₂₃NO₅	Molecular Weight:	369.411020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: HYBRYAPKQCZIAE-UHFFFAOYSA-N

• Allopregnandiol

IUPAC Name: (3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 516-53-0
Synonyms: Allopregnane-3beta,20beta-diol, EINECS 208-223-7, ZINC04081539, (20R)-5alpha-Pregnane-3beta,20-diol

Molecular Formula:	C₂₁H₃₆O₂	Molecular Weight:	320.509340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: YWYQTGBBEZQBGO-XFHAOOBSSA-N

• Allopregnanolone

IUPAC Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone | CAS Registry Number: 516-55-2
Synonyms: Isopregnanolone, 3-beta-Allopregnanolone, 5-alpha-Dihydropregnenolone, Allopregnan-3beta-ol-20-one, 5alpha-Pregnan-3beta-ol-20-one, CHEBI:11909, EINECS 208-224-2, NSC 97078, 3beta-hydroxy-5alpha-pregnane-20-one, C21H34O2, 3-beta-Hydroxy-5-alpha-pregnan-20-one, 3beta-Hydroxy-5alpha-pregnan-20-one, Pregnanolone, (3beta, 5alpha)-isomer, 3beta-Hydroxy-5alpha-tetrahydroprogesterone, 5-alpha-Pregnan-20-one, 3-beta-hydroxy-, 5alpha-Pregnan-20-one, 3beta-hydroxy-, (3beta,5alpha)-3-hydroxypregnan-20-one, U 0949, LS-118574, C15484

Molecular Formula:	C₂₁H₃₄O₂	Molecular Weight:	318.493460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: AURFZBICLPNKBZ-FZCSVUEKSA-N

• Allopregnanolone acetate

IUPAC Name: [(3S,5S,8R,9S,10S,13S,14S,17R)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate | CAS Registry Number: 906-83-2
Synonyms: 20-Oxopregnan-3-yl acetate, pregnan-20-one, 3-(acetyloxy)-, 5-BETA-PREGNAN,20-ONE,3-ALPHA-YL-ACETATE, InChI=1/C23H36O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h16-21H,5-13H2,1-4H

Molecular Formula:	C₂₃H₃₆O₃	Molecular Weight:	360.530140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: GFHOQCXDABGYAL-MVAZZOICSA-N

• Allotetrahydro S

IUPAC Name: 1-[(3R,5S,8R,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone | CAS Registry Number: 601-01-4
Synonyms: Compound P, Substance P (steroid), REICHSTEIN'S SUBSTANCE P, EINECS 209-998-4, LS-147257, Allopregnane-3beta,17alpha,21-triol-20-one, 3alpha,17,21-Trihydroxy-5alpha-pregnan-20-one, 3beta,17alpha,21-Trihydroxy-5alpha-pregnan-20-one, 5alpha-Pregnan-20-one, 3alpha,17,21-trihydroxy-, 5-alpha-Pregnan-20-one, 3-beta,17,21-trihydroxy-, Pregnan-20-one, 3,17,21-trihydroxy-, (3-beta,5-alpha)-

Molecular Formula:	C₂₁H₃₄O₄	Molecular Weight:	350.492260 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: UPTAPIKFKZGAGM-RBBWHVFISA-N

• Allotetrahydrocorticosterone

IUPAC Name: 1-[(3R,5S,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone | CAS Registry Number: 600-63-5
Synonyms: Tetrahydrocorticosterone, EINECS 209-997-9, CID101790, 3alpha,11beta,21-Trihydroxy-5alpha-pregnan-20-one

Molecular Formula:	C₂₁H₃₄O₄	Molecular Weight:	350.492260 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: RHQQHZQUAMFINJ-NZTKVECHSA-N

• Allotetrahydrocortisol

IUPAC Name: 2-hydroxy-1-[(3S,5S,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone | CAS Registry Number: 651-43-4
Synonyms: Reichstein's substance V, 3b,5a-Tetrahydrocortisol, 3b-Allotetrahydrocortisol, 5|A-Pregnane-3|A,11|A,17|A,21-tetrol-20-one, allo-3-beta-tetrahydrocortisol, HMDB00314

Molecular Formula:	C₂₁H₃₄O₅	Molecular Weight:	366.491660 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: AODPIQQILQLWGS-VSJLKEFSSA-N

• Alloxantin

IUPAC Name: 5-hydroxy-5-(5-hydroxy-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-diazinane-2,4,6-trione | CAS Registry Number: 76-24-4
Synonyms: Uroxine, Uroxin, ALLOXANTIN, ALLOXANTIN, DIHYDRATE, NSC7634, HSDB 2081, NSC 7634, EINECS 200-947-1, ZINC01683673, 5,5'-Dihydroxy-5,5'-dibarbituric acid, 5,5'-Bibarbituric acid, 5,5'-dihydroxy-, 5,5'-Dihydroxy-5,5'-bibarbituric acid, 5,5'-Dihydroxy-5,5'-bipyrimidinehexaone, AI3-23206, ST5409726, 5,5'-Bibarbituric acid, 5,5'-dihydroxy- (8CI), (5,5'-Bipyrimidine)-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone, 5,5'-dihydroxy, (5,5'-Bipyrimidine)-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone, 5,5'-dihydroxy-, [5,5'-Bipyrimidine]-2,2',4,4',6,6'(1H,1'H,3H,3'H,5H,5'H)-hexone, 5,5'-dihydroxy-

Molecular Formula:	C₈H₆N₄O₈	Molecular Weight:	286.155240 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: IWDDXZKCDHOOSF-UHFFFAOYSA-N

• Allyl Acetate

IUPAC Name: prop-2-enyl acetate | CAS Registry Number: 591-87-7
Synonyms: Allyl acetate, 3-Acetoxypropene, 2-Propenyl acetate, Allyl acetic acid, 2-Propenyl ethanoate, AllOAc, 2-Propenyl methanoate, 3-Acetoxy-1-propene, Acetic acid, 2-propenyl ester, ACETIC ACID, ALLYL ESTER, 1-Propen-2-ol acetate, ghl.PD_Mitscher_leg0.414, HSDB 2697, WLN: 1VO2U1, 185248_ALDRICH, C5H8O2, NSC 7612, 45800_FLUKA, EINECS 209-734-8, NSC7612

Molecular Formula:	C₅H₈O₂	Molecular Weight:	100.115820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: FWZUNOYOVVKUNF-UHFFFAOYSA-N

• Allyl Alcohol

IUPAC Name: prop-2-en-1-ol | CAS Registry Number: 107-18-6
Synonyms: ALLYL ALCOHOL, 2-Propen-1-ol, Vinylcarbinol, Allylic alcohol, 3-Hydroxypropene, Vinyl carbinol, Weed drench, 2-Propenol, Propenyl alcohol, Propenol, 2-Propenyl alcohol, Orvinylcarbinol, Allylalkohol, Aaalcool allilco, Alcool allylique, Allilowy alkohol, Allyl al, Shell unkrautted A, 1-Propen-3-ol, Propen-1-ol-3

Molecular Formula:	C₃H₆O	Molecular Weight:	58.079140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: XXROGKLTLUQVRX-UHFFFAOYSA-N

• Allyl Amine

IUPAC Name: prop-2-en-1-amine | CAS Registry Number: 107-11-9
Synonyms: ALLYLAMINE, 2-Propen-1-amine, Monoallylamine, 3-Aminopropylene, 2-Propenylamine, 3-Aminopropene, 2-Propenamine, Polyallylamine, 3-Amino-1-propene, 3 Aminopropylene, Poly(allylamine), prop-2-en-1-amine, Allylamine, polymers, Allylamine homopolymer, 2-Propen-1-ylamine, PAA-L, 2-Propenamine homopolymer, Poly(allylamine) solution, PAA 1LV, CCRIS 4746

Molecular Formula:	C₃H₇N	Molecular Weight:	57.094380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: VVJKKWFAADXIJK-UHFFFAOYSA-N

• Allyl Benzene

IUPAC Name: prop-2-enylbenzene | CAS Registry Number: 300-57-2
Synonyms: Benzene, allyl-, ALLYLBENZENE, Benzene, 2-propenyl-, 2-Propenylbenzene, 3-Phenylpropene, 1-Benzylethene, Benzene, propenyl-, 3-Phenyl-1-propene, 1-Phenyl-2-propene, 1-Propene, 3-phenyl-, A29402_ALDRICH, WLN: 1U2R, 05840_FLUKA, EINECS 206-095-7, CID9309, NSC 18609, NSC18609, BRN 1098501, ZINC01561526, LS-29053

Molecular Formula:	C₉H₁₀	Molecular Weight:	118.175700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: HJWLCRVIBGQPNF-UHFFFAOYSA-N