Shanghai AoBo Bio-pharmaceutical Technology Co., Ltd

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Web: http://www.aobopharm.com
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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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• a,a'-Dichloro-o-xylene

IUPAC Name: 1,2-bis(chloromethyl)benzene | CAS Registry Number: 612-12-4
Synonyms: o-Xylylene dichloride, 1,2-Bis(chloromethyl)benzene, o-Bis(chloromethyl)benzene, Benzene, 1,2-bis(chloromethyl)-, alpha,alpha'-Dichloro-o-xylene, CCRIS 1773, 123889_ALDRICH, 36570_FLUKA, EINECS 210-291-8, NSC 71934, o-XYLENE, alpha,alpha'-DICHLORO-, NSC71934, BRN 2043675, .alpha.,.alpha.'-Dichloro-o-xylene, ZINC00330702, AI3-16046, o-Xylene, .alpha.,.alpha.'-dichloro-, LS-162600, 4-05-00-00927 (Beilstein Handbook Reference), AC-509/25002089

Molecular Formula:	C₈H₈Cl₂	Molecular Weight:	175.055120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: FMGGHNGKHRCJLL-UHFFFAOYSA-N

• A-Amino-G-(3-indole)butyric acid

IUPAC Name: 2-amino-4-(1H-indol-3-yl)butanoic acid | CAS Registry Number: 26988-87-4
Synonyms: D,L-Homotryptophan, 2-amino-4-(1H-indol-3-yl)butanoic Acid, AC1N4CNK, SureCN1769610, Ambap26988-87-4, CTK8F8908, |A-Amino-1H-indole-3-butanoic Acid, AG-E-85661, |A-Amino-|A-(3-indole)-butyric Acid, FT-0624382

Molecular Formula:	C₁₂H₁₄N₂O₂	Molecular Weight:	218.251760 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: ADJZXDVMJPTFKT-UHFFFAOYSA-N

• A-Carotene

IUPAC Name: 1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene | CAS Registry Number: 7488-99-5
Synonyms: ALPHA-CAROTENE, Hi-Alpha, beta,epsilon-Carotene, (+)-alpha-Carotene, all-trans-alpha-Carotene, alpha-Carotene (natural), .beta.,.epsilon.-Carotene, alpha-Carotene, all-trans-, (6'R)-beta,epsilon-Carotene, .alpha.-Carotene, all-trans-, CCRIS 6294, .beta.,.epsilon.-Carotene, neo, CHEBI:28425, beta,epsilon-Carotene, (6'R)-, LMPR01070258, NCGC00181744-01, C05433, 4',5'-Didehydro-5',6'-dihydro-beta,beta-carotene, 432-70-2, (all-E)-1,3,3-Trimethyl-2-(3,7,12,1-tetramethyl-18-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1,3,5,7,9,11,13,15,17-octadecanonaenyl)cyclohexene

Molecular Formula:	C₄₀H₅₆	Molecular Weight:	536.872640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: ANVAOWXLWRTKGA-JLTXGRSLSA-N

• A-Cyano-(3,4-dihydroxy)-N-benzylcinnamide

IUPAC Name: (Z)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide | CAS Registry Number: 134036-52-5
Synonyms: AC1NS47P, 2-Cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-2-propenamide, CHEMBL1257042, ABP000823, ZINC12352668, AKOS005146338, BRD-K12357156-001-01-5, (Z)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide

Molecular Formula:	C₁₇H₁₄N₂O₃	Molecular Weight:	294.304660 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: TUCIOBMMDDOEMM-ZSOIEALJSA-N

• A-Cyclopropyl-A(P-methoxyphenyl)-5-pyrimidine methanol

IUPAC Name: cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol | CAS Registry Number: 12771-68-5
Synonyms: Reducymol, ANCYMIDOL, Arest, A-Rest Solution, A-rest, QUEL, Caswell No. 051A, Ancymidole [ISO-French], Ancymidol [ANSI:BSI:ISO], A9431_SIGMA, EINECS 235-814-7, EL-531, EPA Pesticide Chemical Code 108601, CID25572, CPD-4022, CPD-6969, BRN 6212277, SMP2_000074, NCGC00164381-01, LS-135444

Molecular Formula:	C₁₅H₁₆N₂O₂	Molecular Weight:	256.299740 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: HUTDUHSNJYTCAR-UHFFFAOYSA-N

• a-Ketoglutaric Acid

IUPAC Name: 2-oxopentanedioic acid | CAS Registry Number: 328-50-7
Synonyms: 2-Oxopentanedioic acid, alpha-ketoglutaric acid, 2-oxoglutaric acid, 2-ketoglutaric acid, 2-oxoglutarate, 2-ketoglutarate, Oxoglutaric acid, alpha-ketoglutarate, ketoglutarate, Alphaketoglutaric acid, 2-oxopentanedionate, alpha-oxoglutarate, alpha-Oxoglutaric acid, alpha Ketoglutarate, Glutaric acid, alpha keto, 2-Oxo-Glutaric Acid, nchembio816-comp3, nchembio856-comp1, Glutaric acid, 2-oxo-, nchembio.145-comp9

Molecular Formula:	C₅H₆O₅	Molecular Weight:	146.098140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: KPGXRSRHYNQIFN-UHFFFAOYSA-N

• a-Ketoleucine Calcium Salt

IUPAC Name: 4-methyl-2-oxopentanoic acid | CAS Registry Number: 51828-95-6
Synonyms: 2-Oxoisocaproate, Ketoleucine, 2-ketoisocaproate, alpha-oxoisocaproate, alpha-ketoisocaproate, Isopropylpyruvic acid, 4-methyl-2-oxopentanoate, 4-Methyl-2-oxovaleric acid, 2-Oxoisocaproic acid, 4-methyl-2-oxopentanoic acid, alpha-Ketoisocaproic acid, 2-oxo-4-methylpentanoate, 2-keto-4-methyl-pentanoate, 2K-4CH3-PENTANOATE, 2-KETOISOCAPROIC ACID, 2-OXO-4-METHYLPENTANOIC ACID, Calcium 4-methyl-2-oxovalerate, 68255_FLUKA, CHEBI:48430, Pentanoic acid, 4-methyl-2-oxo-

Molecular Formula:	C₆H₁₀O₃	Molecular Weight:	130.141800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: BKAJNAXTPSGJCU-UHFFFAOYSA-N

• A-Phthalimidopropiophenone

IUPAC Name: 2-(1-oxo-1-phenylpropan-2-yl)isoindole-1,3-dione | CAS Registry Number: 19437-20-8
Synonyms: .alpha.-Phthalimidopropiophenone, 2-(1-Methyl-2-oxo-2-phenylethyl)-1H-isoindole-1,3(2H)-dione, 2-(1-oxo-1-phenylpropan-2-yl)isoindole-1,3-dione, AQ-911/41003963, AC1LASTE, ?Phthalimidopropiophenone, AC1Q2BCT, SureCN729029, alpha-Phthalimidopropiophenone, MLS000697996, CTK8H4497, MolPort-000-158-305, HMS2515F18, AKOS003292417, MCULE-1178991557, KB-83438, SMR000230283, ST076781, FT-0637850, A813728

Molecular Formula:	C₁₇H₁₃NO₃	Molecular Weight:	279.290020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: CKLKGWHINGNHOK-UHFFFAOYSA-N

• A-Thymidine

IUPAC Name: 1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 4449-43-8
Synonyms: alpha-Thymidine, NCIMech_000316, AIDS064542, AIDS-064542, 1-(2-Deoxy-alpha-D-ribofuranosyl)-5-methyluracil

Molecular Formula:	C₁₀H₁₄N₂O₅	Molecular Weight:	242.228560 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: IQFYYKKMVGJFEH-RNJXMRFFSA-N

• Abacavir

IUPAC Name: [(4S)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopenten-1-yl]methanol;sulfuric acid | CAS Registry Number: 136777-48-5
Synonyms: AKOS015962201, FT-0606626

Molecular Formula:	C₂₈H₃₈N₁₂O₆S	Molecular Weight:	670.743120 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	16

InChIKey: ONBGCFRRXHDVAP-RCWTXCDDSA-N

• Abietic acid ethyl ester

IUPAC Name: ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate | CAS Registry Number: 631-71-0
Synonyms: ETHYL ABIETATE, Abietic acid, ethyl ester, Abietic Acid Ethyl Ester, Ethyl abietate, technical, CID61182, EINECS 211-166-0, AI3-01841, TL8004389, Ethyl 13-isopropylpodocarpa-7,13-dien-15-oate, Podocarpa-7,13-dien-15-oic acid, 13-isopropyl-, ethyl ester, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, ethyl ester, (1R-(1alpha,4a beta,4b alpha,10a alpha))-, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, ethyl ester, (1R-(1alpha,4abeta,4balpha,10aalpha))-, Ethyl 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylate, (1R-(1alpha,4abeta,4balpha,10aalpha))-

Molecular Formula:	C₂₂H₃₄O₂	Molecular Weight:	330.504160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: AGUBCDYYAKENKG-YVNJGZBMSA-N

• Abietic acid sodium

IUPAC Name: (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid | CAS Registry Number: 14351-66-7
Synonyms: ABIETIC ACID, Abietate, Sylvic acid, l-Abietic acid, (-)-Abietic acid, Abietic acid, technical, Kyselina abietova [Czech], 7,13-Abietadien-18-oic acid, ABIETIC ACID, PRACT, Abieta-7,13-dien-18-oic acid, CCRIS 3183, A9424_SIGMA, NSC25149, 00010_FLUKA, CHEBI:28987, EINECS 208-178-3, NSC 25149, C20H30O2, 13-Isopropylpodocarpa-7,13-dien-15-oic acid, LMPR01040063

Molecular Formula:	C₂₀H₃₀O₂	Molecular Weight:	302.451000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: RSWGJHLUYNHPMX-ONCXSQPRSA-N

• Abscisic Acid

IUPAC Name: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid | CAS Registry Number: 21293-29-8
Synonyms: Abscisin II, ABSCISIC ACID, Abscisate, Dormin, Dormin (VAN), (+)-Abscisic acid, ()-Abscisic acid, (S)-(+)-Abscisic acid, Ambap5078, Acide abscisique [French], Dormin (abscission factor), 2-cis,4-trans-Abscisic acid, cis-trans-(+)-Abscissic acid, A4906_SIGMA, CHEBI:2365, EINECS 244-319-5, NSC 146877, NSC 148832, BRN 2698956, SMP2_000105

Molecular Formula:	C₁₅H₂₀O₄	Molecular Weight:	264.316900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: JLIDBLDQVAYHNE-YKALOCIXSA-N

• ABTS

IUPAC Name: (2E)-3-ethyl-2-[(Z)-(3-ethyl-6-sulfo-1,3-benzothiazol-2-ylidene)hydrazinylidene]-1,3-benzothiazole-6-sulfonic acid | CAS Registry Number: 30931-67-0
Synonyms: 2,2'-Azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid, 2,2'-Azinodi-(3-ethylbenzothiazoline)-(6)-sulfonic acid, ammonium salt, 6-Benzothiazolesulfonic acid, 2,2'-azinobis(3-ethyl-2,3-dihydro-, diammonium salt, 28752-68-3

Molecular Formula:	C₁₈H₁₈N₄O₆S₄	Molecular Weight:	514.618720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	10

InChIKey: ZTOJFFHGPLIVKC-YAFCTCPESA-N

• Abz-gly-4-nitro-phe-pro-oh

IUPAC Name: (2S)-1-[(2S)-2-[[2-[(2-aminobenzoyl)amino]acetyl]amino]-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 67482-93-3
Synonyms: EINECS 266-699-1, 2-Aminobenzoylglycyl-4-nitrophenylalanyl-proline, 1-(N-(N-(2-Aminobenzoyl)glycyl)-4-nitro-L-phenylalanyl)-L-proline, L-Proline, 1-(N-(N-(2-aminobenzoyl)glycyl)-4-nitro-L-phenylalanyl)-, (3R-(3alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha))-

Molecular Formula:	C₂₃H₂₅N₅O₇	Molecular Weight:	483.473900 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: ZCZHTWBKBLMIQM-OALUTQOASA-N

• Ac-D-phe-ome

IUPAC Name: 1,3-dioxolane-2-thione | CAS Registry Number: 21156-62-7
Synonyms: 1,3-Dioxolane-2-thione, 1,3-Dioxolan-2-thione, 20628-59-5, NSC244323, [1,3]dioxolane-2-thione, AC1L3G4R, AC1Q7F3V, CTK1A8030, KST-1B1659, AR-1B7124, AG-E-51371, NSC 244323, NSC-244323, A815172, Carbonicacid, thio-, cyclic O,O-ethylene ester (6CI,8CI); Ethylene glycol, cyclicthiocarbonate; Ethylene thiocarbonate; NSC 244323

Molecular Formula:	C₃H₄O₂S	Molecular Weight:	104.127660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: NLLOEPZYASPYON-UHFFFAOYSA-N

• AC-Trp-Ome

IUPAC Name: methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate | CAS Registry Number: 2824-57-9
Synonyms: Methyl acetyltryptophanate, Acetyltryptophan methyl ester, Methyl L-N-acetyltryptophanate, N-Acetyltryptophan methyl ester, Methyl N-acetyl-L-tryptophanate, L-Tryptophan, N-acetyl-, methyl ester, ZINC00107108, L-Tryptophan, N-acetyl-, methyl ester (9CI), Tryptophan, N-acetyl-, methyl ester, L- (6CI,7CI,8CI), 10346-36-8, 74981-23-0

Molecular Formula:	C₁₄H₁₆N₂O₃	Molecular Weight:	260.288440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XZECNVJPYDPBAM-ZDUSSCGKSA-N

• Acacetin

IUPAC Name: 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one | CAS Registry Number: 480-44-4
Synonyms: acacetin, Linarigenin, Linarisenin, Acacetine, Buddleoflavonol, Akatsetin, 4'-Methoxyapigenin, Acaceztin, Prestwick_49, ACAETIN, Apigenin 4'-methyl ether, Apisenin 4'-methyl ether, 5,7-Dihydroxy-4'-methoxyflavone, Apigenin 4'-dimethyl ether, Spectrum_000135, 5,7-Dioxy-4'-methoxyflavone, Prestwick0_000695, Prestwick1_000695, Prestwick2_000695, Prestwick3_000695

Molecular Formula:	C₁₆H₁₂O₅	Molecular Weight:	284.263480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: DANYIYRPLHHOCZ-UHFFFAOYSA-N

• Acamprosate Calcium

IUPAC Name: calcium 3-acetamidopropane-1-sulfonate | CAS Registry Number: 77337-73-6
Synonyms: Campral, Acamprosate calcium, Alcomed, Sobriol, Aotal, Acamprosate, Campral EC, Campral (TN), Acamprosate calcium [USAN], Acamprosate calcium (USAN), 2C5H10NO4S.Ca, CHEBI:51042, EINECS 278-665-3, calcium acetylaminopropane sulfonate, CID155434, Calcium 3-(acetylamino)propane-1-sulfonate, Calcium(2+) 3-(acetylamino)propanesulphonate, N-acetylhomotaurine, calcium (2:1) salt, calcium bis(3-acetamidopropane-1-sulfonate), LS-120941

Molecular Formula:	C₁₀H₂₀CaN₂O₈S₂	Molecular Weight:	400.482400 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: BUVGWDNTAWHSKI-UHFFFAOYSA-L

• Acebutolol Hcl

IUPAC Name: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide hydrochloride | CAS Registry Number: 34381-68-5
Synonyms: Acebutolol hydrochloride, Sectral, Prestwick_512, Sectral (TN), MLS000069553, MLS001076107, A3669_SIGMA, SPECTRUM1500665, CHEBI:2380, CID441307, Acebutolol hydrochloride (JP15/USP), NCGC00094830-01, NCGC00094830-02, NCGC00094830-03, NCGC00094830-04, SMR000058800, TL8002563, C07677, D00597, N-(3-Acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl)butanamide

Molecular Formula:	C₁₈H₂₉ClN₂O₄	Molecular Weight:	372.886860 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: KTUFKADDDORSSI-UHFFFAOYSA-N

• Aceclidine hydochloride

IUPAC Name: 1-azabicyclo[2.2.2]octan-8-yl acetate hydrochloride | CAS Registry Number: 6109-70-2
Synonyms: Glaucostat, Aceclidine hydrochloride, C9H15NO2.HCl, 3-Acetoxyquinuclidine hydrochloride, EINECS 228-071-5, Quinuclidin-3-yl acetate hydrochloride, C 162 D, 3-Quinclidinol dl-form acetate hydrochloride, 3-Quinuclidinol, acetate (ester), hydrochloride, LS-143216, 1-Azabicyclo(2.2.2)octan-3-ol, acetate (ester), hydrochloride

Molecular Formula:	C₉H₁₆ClNO₂	Molecular Weight:	205.681840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: LWWSARSTZGNKGV-UHFFFAOYSA-N

• Aceclofenac Bp98

IUPAC Name: 2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid | CAS Registry Number: 89796-99-6
Synonyms: Aceclofenac, Aceclofenac (TN), Aceclofenacum [Latin], Prestwick_772, Aceclofenaco [Spanish], Aceclofenac [BAN:INN], Aceclofenac (JAN/INN), Prestwick0_000175, Prestwick1_000175, Prestwick2_000175, Prestwick3_000175, BSPBio_000069, C16H13Cl2NO4, MLS001032069, MLS001304028, MLS002154226, SPBio_001990, BPBio1_000077, BB_SC-2095, CID71771

Molecular Formula:	C₁₆H₁₃Cl₂NO₄	Molecular Weight:	354.184720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: MNIPYSSQXLZQLJ-UHFFFAOYSA-N

• Acefylline Piperazine (Oral/Sterile)

IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid; piperazine | CAS Registry Number: 18833-13-1
Synonyms: Epicophylline, Epicophylline (TN), ACEFYLLINE PIPERAZINE, Acefylline piperazine (INN), EINECS 227-160-6, D07062, 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic acid,compound with piperazine, 5690-66-4

Molecular Formula:	C₁₃H₂₀N₆O₄	Molecular Weight:	324.335700 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	8

InChIKey: SKKLFJHESZIVKT-UHFFFAOYSA-N

• Acemetacin

IUPAC Name: 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetic acid | CAS Registry Number: 53164-05-9
Synonyms: acemetacin, Rantudil, Acemetacinum, Aximeixin, Rheumibis, Acemix, Rantodil, Emflex, Rantudil (TN), Prestwick_669, Spectrum_000428, Acemetacine [INN-French], Acemetacinum [INN-Latin], Acemetacin (JAN/INN), Acemetacina [INN-Spanish], Prestwick0_000296, Prestwick1_000296, Prestwick2_000296, Prestwick3_000296, Spectrum2_001162

Molecular Formula:	C₂₁H₁₈ClNO₆	Molecular Weight:	415.823720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: FSQKKOOTNAMONP-UHFFFAOYSA-N

• Acenaphthenequinone

IUPAC Name: acenaphthylene-1,2-dione | CAS Registry Number: 82-86-0
Synonyms: Acenaphthoquinone, Acenaphthenedione, Acenaphthaquinone, 1,2-Acenaphthenedione, Acenaphthylenequinone, 1,2-Acenaphthenequinone, 1,2-ACENAPHTHYLENEDIONE, 1,2-Diketoacenaphthene, Acenaphthylene-1,2-quinone, acenaphthene-1,2-dione, acenaphthylene-1,2-dione, A201_ALDRICH, CCRIS 5318, HSDB 2660, MLS000705880, NSC 7656, 00040_FLUKA, CHEBI:15342, EINECS 201-441-3, NSC7656

Molecular Formula:	C₁₂H₆O₂	Molecular Weight:	182.174840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: AFPRJLBZLPBTPZ-UHFFFAOYSA-N

• Acenaphthenequinone dioxime

IUPAC Name: N-(2-nitrosoacenaphthylen-1-yl)hydroxylamine | CAS Registry Number: 1932-08-7
Synonyms: NSC31680, (1E,2E)-1,2-Acenaphthylenedione dioxime, 1,2-Dihydroacenaphthylen-1,2-dion-dioxim

Molecular Formula:	C₁₂H₈N₂O₂	Molecular Weight:	212.204120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: DFVXPXWNTZFHIV-UHFFFAOYSA-N

• Acenaphtylene

IUPAC Name: acenaphthylene | CAS Registry Number: 208-96-8
Synonyms: ACENAPHTHYLENE, Acenaphthalene, Cyclopenta[de]naphthalene, Acenaphthylene solution, Cyclopenta(de)naphthalene, A805_ALDRICH, 48630U_SUPELCO, HSDB 2661, 40075_SUPELCO, 48566_SUPELCO, 36958_RIEDEL, 416703_ALDRICH, CHEBI:33081, EINECS 205-917-1, Acenaphthylene, radical ion(1-), CID9161, NSC 59821, acenaphthylene, radical ion (1-), NSC59821, LS-7874

Molecular Formula:	C₁₂H₈	Molecular Weight:	152.191920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: HXGDTGSAIMULJN-UHFFFAOYSA-N

• Acerola

IUPAC Name: [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol | CAS Registry Number: 4097-22-7
Synonyms: dideoxyadenosine, ddAdo, 2',3'-Dideoxyadenosine, ddA (Antiviral), ddA & GM-CSF, CCRIS 428, MLS001055366, D1285_SIGMA, NSC-98700, ADENOSINE, 2',3'-DIDEOXY-, EINECS 223-853-2, NSC 98700, AIDS000003, AIDS000887, C10H13N5O2, AIDS-000003, AIDS-000887, DRG-0039, NSC98700, BRN 0619924

Molecular Formula:	C₁₀H₁₃N₅O₂	Molecular Weight:	235.242520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: WVXRAFOPTSTNLL-NKWVEPMBSA-N

• Acetal

IUPAC Name: 1,1-diethoxyethane | CAS Registry Number: 105-57-7
Synonyms: Diethyl acetal, Diethylacetal, Acetol, polyacetal, Diaethylacetal, Acetaal, Acetaal [Dutch], Ethane, 1,1-diethoxy-, 1,1-DIETHOXYETHANE, Acetal (natural), Acetale [Italian], Acetal diethylique, Ethane, diethoxy-, Ethylidene diethyl ether, Acetaldehyde, diethyl acetal, Acetaldehyde diethyl acetal, Ethylidenediethyl ether, 1,1-Dietossietano, Diaethylacetal [German], Acetaldehyde ethyl acetal

Molecular Formula:	C₆H₁₄O₂	Molecular Weight:	118.174160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DHKHKXVYLBGOIT-UHFFFAOYSA-N

• Acetaldehyde

IUPAC Name: acetaldehyde | CAS Registry Number: 75-07-0
Synonyms: acetaldehyde, ethanal, acetic aldehyde, ethyl aldehyde, Acetylaldehyde, aldehyde, Acetic ethanol, Acetaldehyd, acetaldehydes, ethaldehyde, Ethylaldehyde, Acetaldeyde, Aceteldehyde, Azetaldehyd, Aldeide acetica, Octowy aldehyd, Aldehyde acetique, Acetaldehyde (natural), Acetaldehyd [German], Acetaldehyde solution

Molecular Formula:	C₂H₄O	Molecular Weight:	44.052560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: IKHGUXGNUITLKF-UHFFFAOYSA-N

• Acetaldehyde 2,4-dinitrophenylhydrazone

IUPAC Name: N-(ethylideneamino)-2,4-dinitroaniline | CAS Registry Number: 1019-57-4
Synonyms: Acetaldehyde-2,4-DNPH, BCR547_FLUKA, 442434_SUPELCO, NSC 403216, 429554_SIAL, Acetaldehyde, 2,4-dinitrophenylhydrazone, Acetaldehyde (2,4-dinitrophenyl)hydrazone, Acetaldehyde-2,4-dinitrophenylhydrazone, LS-7913, (1E)-ethanal (2,4-dinitrophenyl)hydrazone

Molecular Formula:	C₈H₈N₄O₄	Molecular Weight:	224.173520 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: ONBOQRNOMHHDFB-XNWCZRBMSA-N

• Acetaldehyde dihexylacetal

IUPAC Name: 1-(1-hexoxyethoxy)hexane | CAS Registry Number: 5405-58-3
Synonyms: Acetaldehyde, dihexyl acetal, 1,1-Di(hexyloxy)ethane, Ethylidenebis(oxy)dihexane, 1,1-BIS(HEXYLOXY)ETHANE, NSC5187, CID21503, NSC 5187, Acetaldehyde, dihexyl acetal (8CI), EINECS 226-458-3, ZINC01680757, ACETALDEHYDE DI-N-HEXYL ACETAL, Hexane, 1,1'-[ethylidenebis(oxy)]bis-, Hexane, 1,1'-(ethylidenebis(oxy))bis-, ST5411560

Molecular Formula:	C₁₄H₃₀O₂	Molecular Weight:	230.386800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: VSFOOCQEJQKBSO-UHFFFAOYSA-N

• Acetaldehyde Oxime

IUPAC Name: (NE)-N-ethylidenehydroxylamine | CAS Registry Number: 107-29-9
Synonyms: Acetaldoxime, Aldoxime, Ethanal oxime, Hydroiminoethane, Acetaldehyde, oxime, Ethylidenehydroxylamine, ACETALDEHYDE OXIME, (1E)-acetaldehyde oxime, (1E)-Ethanal oxime, (E)-acetaldehyde oxime, USAF AM-5, (E)-CH3CH=NOH, Acetaldoxime, syn + anti, A1002_ALDRICH, CCRIS 1379, HSDB 2662, acetaldehyde, oxime, (1E)-, 407763_ALDRICH, NSC 4974, CHEBI:28465

Molecular Formula:	C₂H₅NO	Molecular Weight:	59.067200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FZENGILVLUJGJX-NSCUHMNNSA-N

• Acetaldehyde semicarbazone

IUPAC Name: (ethylideneamino)urea | CAS Registry Number: 591-86-6
Synonyms: NSC115871

Molecular Formula:	C₃H₇N₃O	Molecular Weight:	101.107180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: IUNNCDSJWDQYPW-DJWKRKHSSA-N

• Acetamide, N-(4,5-Dichloro-2-aophenyl)

IUPAC Name: N-(4,5-dichloro-2-nitrophenyl)acetamide | CAS Registry Number: 5462-30-6
Synonyms: 641715_ALDRICH, NSC17009, ZINC04284690, 4',5'-Dichloro-2'-nitroacetanilide, N-(4,5-Dichloro-2-nitrophenyl)acetamide, ST5409368

Molecular Formula:	C₈H₆Cl₂N₂O₃	Molecular Weight:	249.050840 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZEGRPTYRAGSSBH-UHFFFAOYSA-N

• Acetaminophen

IUPAC Name: N-(4-hydroxyphenyl)acetamide | CAS Registry Number: 103-90-2
Synonyms: acetaminophen, Paracetamol, Tylenol, Datril, Acetaminofen, Algotropyl, Naprinol, 4-Acetamidophenol, Lonarid, Panadol, Acamol, Anelix, Multin, APAP, p-Acetamidophenol, p-Acetaminophenol, Paracetamolo, Abensanil, Acetagesic, Acetalgin

Molecular Formula:	C₈H₉NO₂	Molecular Weight:	151.162560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: RZVAJINKPMORJF-UHFFFAOYSA-N

• Acetaminophen glucuronide

IUPAC Name: sodium;6-(4-acetamidophenoxy)-3,4,5-trihydroxyoxane-2-carboxylate | CAS Registry Number: 120595-80-4
Synonyms: 4-Acetamidophenyl beta-D-glucuronide, sodium salt, FT-0631100, A804544, sodium 6-(4-acetamidophenoxy)-3,4,5-trihydroxy-2-oxanecarboxylate, sodium 6-(4-acetamidophenoxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylate

Molecular Formula:	C₁₄H₁₆NNaO₈	Molecular Weight:	349.268509 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: OINXIJJEOMGKPB-UHFFFAOYSA-M

• Acetamiprid

IUPAC Name: N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide | CAS Registry Number: 135410-20-7
Synonyms: Acetamipride, (E)-acetamiprid, (Z)-acetamiprid, Acetamiprid [ISO], HSDB 7274, NI 25, CHEBI:39163, CHEBI:39164, CHEBI:39165, NCGC00163881-01, NCGC00163881-02, LS-183006, (E)-N-(6-Chloro-3-pyridyl)methyl-N'-cyano-N-methylacetamidine, C464485, N-((6-Chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide, (1E)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide, Ethanimidamide, N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methyl-, (E)-, N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide, (1Z)-N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide, (E)-N-((6-chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide

Molecular Formula:	C₁₀H₁₁ClN₄	Molecular Weight:	222.674140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: WCXDHFDTOYPNIE-UHFFFAOYSA-N

• Acetanilide

IUPAC Name: N-phenylacetamide | CAS Registry Number: 103-84-4
Synonyms: acetanilide, N-Phenylacetamide, Antifebrin, Acetylaniline, Acetanilid, Acetanil, Acetamidobenzene, N-Acetylaniline, Acetoanilide, Phenalgene, Phenalgin, Acetylaminobenzene, Acetic acid anilide, Ethananilide, Acetamide, N-phenyl-, 2-Acetanilide, N-acetylarylamine, Aniline, N-acetyl-, Benzenamine, N-acetyl-, N-Acetylaminobenzene

Molecular Formula:	C₈H₉NO	Molecular Weight:	135.163160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: FZERHIULMFGESH-UHFFFAOYSA-N

• Acetazolamide

IUPAC Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide | CAS Registry Number: 59-66-5
Synonyms: acetazolamide, Diamox, Acetazolamid, Dehydratin, Natrionex, Nephramid, Nephramide, Acetamox, Diuramid, Diutazol, Duiramid, Eumicton, Phonurit, Cidamex, Diacarb, Diakarb, Diluran, Fonurit, Glaupax, Vetamox

Molecular Formula:	C₄H₆N₄O₃S₂	Molecular Weight:	222.245440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: BZKPWHYZMXOIDC-UHFFFAOYSA-N

• Acethylmethylene triphenylphosphorane

IUPAC Name: 1-tri(phenyl)phosphoranylidenepropan-2-one | CAS Registry Number: 1439-36-7
Synonyms: (Acetonylidenetriphenyl)phosphorane, Acetonyltriphenylphosphonium-, (Acetylmethylene)triphenylphosphine, WLN: 1V1UPR&R&R, (Acetylmethylene)triphenylphosphorane, (Triphenylacetylmethylene)phosphorane, 1-(Triphenylphosphoranylidene)acetone, Phosphonium, acetonyltriphenyl-, 158755_ALDRICH, 1-(Triphenylphosphoranyl)acetone, EINECS 215-878-2, 1-(Triphenylphosphoranylidene)-2-propanone, Triphenylphosphoranylidene-2-propanone, Acetylmethylene-triphenylphosphorane, AIDS155852, NSC 407394, NSC6741 (CHLORIDE SALT), 2-Propanone, (triphenylphosphoranylidene)-, Acetonyltriphenylphosphonium chloride, AIDS-155852

Molecular Formula:	C₂₁H₁₉OP	Molecular Weight:	318.348721 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: KAANTNXREIRLCT-UHFFFAOYSA-N

• Acetic Acid

IUPAC Name: acetic acid | CAS Registry Number: 64-19-7
Synonyms: acetic acid, ethanoic acid, Acetasol, Glacial acetic acid, Ethylic acid, Vinegar acid, Essigsaeure, Acetic acid, glacial, Otic Tridesilon, Otic Domeboro, acetate, Aci-jel, Azijnzuur, Pyroligneous acid, Vinegar, ethoic acid, Acide acetique, Barium acetate, Sodium acetate, Acido acetico

Molecular Formula:	C₂H₄O₂	Molecular Weight:	60.051960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-N

• Acetic acid 2-ethylphenyl ester

IUPAC Name: (2-ethylphenyl) acetate | CAS Registry Number: 3056-59-5
Synonyms: 2-Ethylphenyl Acetate, Acetic Acid 2-Ethylphenyl Ester, SureCN68677, (2-ethylphenyl) ethanoate, ACMC-209hh2, Phenol, 2-ethyl-,1-acetate, CTK4G5423, acetic acid (2-ethylphenyl) ester, ANW-26916, AG-F-00827, AK135657, KB-47055, FT-0634623, A820438, I14-101292, Phenol,2-ethyl-, acetate (9CI); Phenol, o-ethyl-, acetate (7CI,8CI); 2-Ethylphenylacetate; o-Ethylphenyl acetate

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: VERVERDPMMBDSS-UHFFFAOYSA-N

• Acetic Acid 2-Methoxyphenyl Ester

IUPAC Name: (2-methoxyphenyl) acetate | CAS Registry Number: 613-70-7
Synonyms: Guaiacyl acetate, Guaiacol acetate, o-Acetoxyanisole, o-Anisyl acetate, Eucol, Acetyl guaiacol, O-Acetylguaiacol, 2-Methoxyphenyl acetate, Phenol, 2-methoxy-, acetate, Eucol (VAN), Phenol, o-methoxy-, acetate, 1-Acetoxy-2-methoxybenzene, o-METHOXYPHENYL ACETATE, W368709_ALDRICH, FEMA No. 3687, 335177_ALDRICH, NSC3831, NSC 3831, EINECS 210-350-8, ZINC00389574

Molecular Formula:	C₉H₁₀O₃	Molecular Weight:	166.173900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: BHJHPYFAYGAPLS-UHFFFAOYSA-N

• Acetic acid 4-ethylphenyl ester

IUPAC Name: (4-ethylphenyl) acetate | CAS Registry Number: 3245-23-6
Synonyms: p-Ethylphenyl acetate, 4-Ethylphenyl acetate, Phenol, 4-ethyl-, acetate, NSC6705, CID76731, NSC 6705, EINECS 221-818-6, AI3-20014, 746657-65-8

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ANMYMLIUCWWISO-UHFFFAOYSA-N

• Acetic acid 4-nitrobenzyl

IUPAC Name: (4-nitrophenyl)methyl acetate | CAS Registry Number: 619-90-9
Synonyms: 4-Nitrobenzyl acetate, p-Nitrobenzyl acetate, p-Nitrobenzylacetate, Acetic acid, p-nitrobenzyl ester, CCRIS 7962, 4-Nitro-benzenemethanol acetate, Benzyl alcohol, p-nitro-, acetate, Benzenemethanol, 4-nitro-, acetate (ester), Acetic Acid 4-Nitrobenzyl Ester, EINECS 210-618-4, Acetic acid 4-nitro-benzyl ester, AIDS101478, Benzyl alcohol, p-nitro-, acetate(ester), NSC 403575, AIDS-101478, NSC403575, ZINC00347490, AI3-08860, BAS 00116752, LS-43120

Molecular Formula:	C₉H₉NO₄	Molecular Weight:	195.172060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: QNXQLPUEZYZYFC-UHFFFAOYSA-N

• Acetic acid tridecyl ester

IUPAC Name: tridecyl acetate | CAS Registry Number: 1072-33-9
Synonyms: TRIDECYL ACETATE, Tridecanyl acetate, 1-Tridecanol, acetate, Acetic acid, tridecyl ester, T6507_SIGMA, CID14071, BRN 1773872, AI3-35251, LS-157152, 4-02-00-00170 (Beilstein Handbook Reference)

Molecular Formula:	C₁₅H₃₀O₂	Molecular Weight:	242.397500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ZDRNMODJXFOYMN-UHFFFAOYSA-N

• Acetic Acid, [(2-Furanylmethyl)sulfinyl]-

IUPAC Name: 2-(furan-2-ylmethylsulfinyl)acetic acid | CAS Registry Number: 108499-26-9
Synonyms: 2-[(2-Furanylmethyl)sulfinyl]acetic acid, Acetic acid, [(2-furanylmethyl)sulfinyl]-, Acetic acid,2-[(2-furanylmethyl)sulfinyl]-, ACMC-20mbjx, SureCN9519142, AGN-PC-0020IM, ACE024, CTK4A6067, AKOS006289961, 2-(2-furanylmethylsulfinyl)acetic acid, AC-5763, AG-D-24946, AK139285, 2-(furan-2-ylmethylsulfinyl)ethanoic acid, 2-((Furan-2-ylmethyl)sulfinyl)acetic acid, KB-166336, A801886, I14-37514, Aceticacid, [(2-furanylmethyl)sulfinyl]- (9CI);2-(Furfurylsulfinyl)acetic acid;

Molecular Formula:	C₇H₈O₄S	Molecular Weight:	188.201020 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: BMFMTNROJASFBW-UHFFFAOYSA-N

• Acetic Acid, [(2-Furanylmethyl)thio], Methyl Ester

IUPAC Name: methyl 2-(furan-2-ylmethylsulfanyl)acetate | CAS Registry Number: 108499-33-8
Synonyms: ST50407322, Aceticacid, [(2-furanylmethyl)thio]-methylester, Acetic acid,2-[(2-furanylmethyl)thio]-, methyl ester, ZINC02581472, AC1ODXSO, ACMC-20f6v3, SureCN9195510, ACE025, CTK4A6068, methyl 2-(2-furylmethylthio)acetate, AKOS009144149, AG-D-24947, MCULE-9164054977, AC-20343, methyl 2-(furan-2-ylmethylsulfanyl)acetate, Acetic acid, [(2-furanylmethyl)thio]-, methyl ester, Acetic acid,[(2-furanylmethyl)thio]-, methyl ester (9CI); Methyl 2-(furfurylthio)acetate;Methyl 2-furanylmethylthioacetate

Molecular Formula:	C₈H₁₀O₃S	Molecular Weight:	186.228200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: XPVNCXPHDABNLE-UHFFFAOYSA-N

• Acetoacet O-Chloranilide

IUPAC Name: N-(2-chlorophenyl)-3-oxobutanamide | CAS Registry Number: 93-70-9
Synonyms: AAoC, o-Chloroacetoacetanilide, Acetoacet-o-chloranilide, o-Acetoacetochloroanilide, Acetoacet-o-chloroanilide, 2'-Chloroacetoacetanilide, o-Acetoacetochloranilide, Acetoacetyl-o-chloroanilide, Acetoacet-o-chloroacetanilide, Acetoacetyl-2-chloroanilide, N-Acetoacetyl-2-chloroaniline, Acetoacetanilide, o-chloro-, Maybridge1_002473, N-(2-Chlorophenyl)acetoacetamide, ACETOACETANILIDE, 2'-CHLORO-, DivK1c_001225, Butanamide, N-(2-chlorophenyl)-3-oxo-, NSC 3913, EINECS 202-269-1, 3-Oxo-N-(2-chlorophenylbutanamide)

Molecular Formula:	C₁₀H₁₀ClNO₂	Molecular Weight:	211.644900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: BFVHBHKMLIBQNN-UHFFFAOYSA-N