Topharman Shanghai Co Ltd

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Profile: Topharman Shanghai Co Ltd manufactures active pharmaceutical intermediates. Our product includes bumetanide, adapalene, ambazone, aminocarb, antazolin, bicifadine and delavirdine. We also provide doxazosin, exalamide, fenoxazoline, fluoxetine, tegaserod, zaleplon and zoledronic acid.

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• Noreximide

Synonyms: Norendimide, Oprea1_059544, 5-Norbornene-2,3-dicarboximide, NSC31977, NSC31978, NSC53245, 5-Norbornene-2,3-dicarboximide, cis-endo-, 5-Norbornene-endo-2,3-dicarboximide, NSC147237, STK246607, 3,6-Endomethylenetetrahydrophthalimide, NSC 147237, NCGC00160680-01, Norborn-5-ene-2,3-cis-exo-dicarboximide, Bicyclo(2.2.1)hept-5-ene-2,3-dicarboximide, K 2154, K-2154, cis-3,6-Endomethylene-delta4-tetrahydrophthalimide, 3,6-Endomethylene-4-cyclohexene-1,2-dicarboximide, 3,6-Endomethylenephthalimide, 1,2,3,4-tetrahydro-

Molecular Formula:	C₉H₉NO₂	Molecular Weight:	163.173260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GPIUUMROPXDNRH-UHFFFAOYSA-N

• Notoginsenoside R1

IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 80418-24-2
Synonyms: Ambap6202, C08961

Molecular Formula:	C₄₇H₈₀O₁₈	Molecular Weight:	933.127300 [g/mol]
H-Bond Donor:	12	H-Bond Acceptor:	18

InChIKey: LLPWNQMSUYAGQI-OOSPGMBYSA-N

• Nuciferine

Synonyms: Nuciferin, l-Nuciferine, Sanjoinine E, nuciferine,HCl, (-)-Nucipherine, l-5,6-Dimethoxyaporphine, (R)-1,2-Dimethoxyaporphine, 1,2-Dimethoxy-6abeta-aporphine, CHEBI:562581, AIDS189198, AIDS-189198, CID10146, 6a-beta-APORPHINE, 1,2-DIMETHOXY-, LS-21471, 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (R)-, 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-6-methyl-, (R)- (9CI)

Molecular Formula:	C₁₉H₂₁NO₂	Molecular Weight:	295.375540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ORJVQPIHKOARKV-OAHLLOKOSA-N

• OCTAHYDRO-,ETHYL ESTER,(1S,3AR,6AS)-

IUPAC Name: ethyl (3R,3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylate | CAS Registry Number: 864185-81-9
Synonyms: CYC041, CYC051, AM84284, Cyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, ethyl ester, (1R,3aS,6aR)-, Cyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, ethyl ester, (1R,3aS,6aR)-rel-, Cyclopenta[c]pyrrole-1-carboxylic acid, octahydro-, ethyl ester,(1R,3aS,6aR)-

Molecular Formula:	C₁₀H₁₇NO₂	Molecular Weight:	183.247480 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: BFZUEHILBXRWGT-IWSPIJDZSA-N

• Oleanolic Acid

IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | CAS Registry Number: 508-02-1
Synonyms: Caryophyllin, OLEANOLIC ACID, Astrantiagenin C, Giganteumgenin C, Virgaureagenin B, Oleanic acid, CCRIS 6493, MLS000697656, O5504_SIGMA, NSC114945, CHEBI:37659, EINECS 208-081-6, 3beta-Hydroxyolean-12-en-28-oic acid, AIDS014809, NSC 114945, AIDS-014809, CID10494, 3-beta-Hydroxyolean-12-en-28-oic acid, LS-98296, SMR000445561

Molecular Formula:	C₃₀H₄₈O₃	Molecular Weight:	456.700320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: MIJYXULNPSFWEK-GTOFXWBISA-N

• Olivetol

IUPAC Name: 5-pentylbenzene-1,3-diol | CAS Registry Number: 500-66-3
Synonyms: OLIVETOL, 5-Pentylresorcinol, 5-n-Amylresorcinol, 5-n-Pentylresorcinol, Resorcinol, 5-pentyl-, 3,5-Dihydroxyamylbenzene, Olivetol (6CI), 5-Pentyl-1,3-benzenediol, 1,3-Benzenediol, 5-pentyl-, CCRIS 6084, 3,5-Dihydroxypentylbenzene, 5-pentylbenzene-1,3-diol, 1,3-Dihydroxy-5-pentylbenzene, 152633_ALDRICH, Resorcinol, 5-pentyl- (8CI), EINECS 207-908-8, 1,3-Benzenediol, 5-pentyl- (9CI), CID10377, BRN 0908277, ZINC02040431

Molecular Formula:	C₁₁H₁₆O₂	Molecular Weight:	180.243540 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: IRMPFYJSHJGOPE-UHFFFAOYSA-N

• OPC-13015: 6-[4-(1-CYCLOHEXYL-1H-TETRAZOL-5-YL) BUTOXY]-2(1H)-QUINOLINONE

IUPAC Name: 6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one | CAS Registry Number: 73963-62-9
Synonyms: 3,4-Dehydro Cilostazol, SureCN5811108, UNII-5M77W4SPE0, QUI006, CTK8F4797, 3,4-Dehydrocilostazol;OPC 13015, OPC 13015, ZINC22055506, AG-G-93356, FT-0665602, 2(1H)-Quinolinone, 6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]-, 6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-2(1H)-quinolinone

Molecular Formula:	C₂₀H₂₅N₅O₂	Molecular Weight:	367.444800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: GHALECSGOJQOHW-UHFFFAOYSA-N

• Oridonin

Synonyms: Rubescensin A, NSC637458, NCI60_012412

Molecular Formula:	C₂₀H₂₈O₆	Molecular Weight:	364.432720 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: SDHTXBWLVGWJFT-AKQQBLALSA-N

• Orientin

IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | CAS Registry Number: 28608-75-5
Synonyms: Lutexin, Orientin (Flavone), Luteolin 8-glucoside, Luteolin 8-C-glucoside, 8-beta-D-glucosylluteolin, CHEBI:7781, AIDS026706, AIDS-026706, C21H20O11, CID5281675, LS-39605, C10114, 2-(3,4-Dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-, 8-C-beta-glucopyranosyl-3',4',5,7-tetrahydroxyflav-2-en-3-one, 2-(3,4-dihydroxyphenyl)-8-beta-D-glucopyranosyl-5,7-dihydroxy-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-.beta.-D-glucopyranosyl-5,7-dihydroxy-

Molecular Formula:	C₂₁H₂₀O₁₁	Molecular Weight:	448.376900 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	11

InChIKey: PLAPMLGJVGLZOV-VPRICQMDSA-N

• OXAZOLE,5-ETHOXY-2-PROPYL-

IUPAC Name: 5-ethoxy-2-propyl-1,3-oxazole | CAS Registry Number: 90087-72-2
Synonyms: SureCN12679092, Oxazole, 5-ethoxy-2-propyl-, OXA002

Molecular Formula:	C₈H₁₃NO₂	Molecular Weight:	155.194320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: JUAJPJQPWOICIZ-UHFFFAOYSA-N

• Oxazole-2-carboxylic acid

IUPAC Name: ethyl 5-methyl-1,3-oxazole-2-carboxylate | CAS Registry Number: 33123-68-1
Synonyms: Ethyl 5-methyloxazole-2-carboxylate, ethyl 5-methyl-1,3-oxazole-2-carboxylate, 5-METHYL-2-OXAZOLECARBOXYLIC ACID ETHYL ESTER, 2-Oxazolecarboxylic acid, 5-methyl-, ethyl ester, SureCN1934223, OXA001, CTK8C2523, ANW-68537, AKOS006280940, AB53497, AK-78258, EN001566, A821628, 5-METHYL-OXAZOLE-2-CARBOXYLIC ACID ETHYL ESTER, I14-39059

Molecular Formula:	C₇H₉NO₃	Molecular Weight:	155.151260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: AVQLWUGRGBPYLN-UHFFFAOYSA-N

• Oxysophoridine

Synonyms: Oxymatrine, Matrine N-oxide, Ammothamnine, Matrine oxide, Matrine 1beta-oxide, Matrine, 1-oxide, 16837-52-8, (7aS,13aR,13bR,13cS)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridin-10-one 4-oxide, Matridin-15-one, 1-oxide, (1-beta)-, 1H,5H,10H-Dipyrido(2,1-f:3',2',1'-ij)(1,6)naphthyridin-10-one, dodecahydro-, 4-oxide, (4R,7aS,13aR,13bR,13cS)-, Oxymatrine, Matrine N-oxide, Matrine oxide, Matrine 1beta-oxide, S2338_Selleck, AC1L3G2K, MLS001215101, Bio-0552, AC1Q225Q, CHEMBL458337, MolPort-002-507-309, MolPort-016-633-335, HMS2854E03

Molecular Formula:	C₁₅H₂₄N₂O₂	Molecular Weight:	264.363260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XVPBINOPNYFXID-LHDUFFHYSA-N

• p-Hydroxycinnamic acid

IUPAC Name: (E)-3-(4-hydroxyphenyl)prop-2-enoic acid | CAS Registry Number: 7400-08-0
Synonyms: p-coumaric acid, 4-Coumaric acid, Naringeninic acid, Para-Coumaric acid, p-Cumaric acid, 4-Hydroxycinnamic acid, trans-p-Coumaric acid, 4-coumarate, Hydroxycinnamic acid, (E)-p-Coumaric acid, 4-Hydroxycinnamate, trans-p-Coumarinic acid, p-Coumaric acid,trans, Cinnamic acid, p-hydroxy-, p-Hydroxyphenylacrylic acid, trans-4-Hydroxycinnamic acid, trans-4-coumaric acid, (E)-p-Hydroxycinnamic acid, trans-p-Hydroxycinnamic acid, trans-p-Hydroxycinnamate

Molecular Formula:	C₉H₈O₃	Molecular Weight:	164.158020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: NGSWKAQJJWESNS-ZZXKWVIFSA-N

• P-METHOXY-N,A-DIMETHYLPHENETHYLAMINE

IUPAC Name: 1-(4-methoxyphenyl)-N-methylpropan-2-amine | CAS Registry Number: 22331-70-0
Synonyms: p-Methoxymethamphetamine, 4-Methoxymethamphetamine, ARONIS023641, 3398-68-3 (hydrochloride), EINECS 244-917-6, MolPort-001-784-755, CID90766, BRN 2832125, p-Methoxy-N,alpha-dimethylphenethylamine, 1-(p-Methoxyphenyl)-2-methylaminopropane, Phenethylamine, p-methoxy-N,alpha-dimethyl-, 1-(p-Methoxyphenyl)-2-methylaminopropan, NCGC00165824-01, Phenethylamine, N,alpha-dimethyl-4-methoxy-, alpha-(4-Methoxyphenyl)-beta-methylaminopropane, LS-103381, 1-(p-Methoxyphenyl)-2-methylaminopropan [German], Benzeneethanamine, 4-methoxy-N,alpha-dimethyl-, Phenethylamine, N,.alpha.-dimethyl-4-methoxy-, 4-13-00-01871 (Beilstein Handbook Reference)

Molecular Formula:	C₁₁H₁₇NO	Molecular Weight:	179.258780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: UGFMBZYKVQSQFX-UHFFFAOYSA-N

• P-METHOXY-N,A-DIMETHYLPHENETHYLAMINE HCL

IUPAC Name: 1-(4-methoxyphenyl)-N-methylpropan-2-amine hydrochloride | CAS Registry Number: 3398-68-3
Synonyms: 4-Methoxymethamphetamine, EINECS 222-265-3, 22331-70-0 (Parent), CID197788, LS-103391, N,alpha-Dimethyl-p-methoxyphenethylamine hydrochloride, p-Methoxy-N,alpha-dimethylphenethylamine hydrochloride, N-Methyl-1-(4-methoxyphenyl)-2-aminopropane hydrochloride, Phenethylamine, N,alpha-dimethyl-p-methoxy-, hydrochloride

Molecular Formula:	C₁₁H₁₈ClNO	Molecular Weight:	215.719720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: IQZVXWOBOYTPER-UHFFFAOYSA-N

• P-Toluenesulfonyl hydrazide

IUPAC Name: 4-methylbenzenesulfonohydrazide | CAS Registry Number: 1576-35-8
Synonyms: Tosylhydrazide, Tosylhydrazine, p-Tosylhydrazine, Celogen TSH, PTSH, P-Toluenesulfonhydrazide, p-Toluenesulfonylhydrazine, p-Tolylsulfonylhydrazine, p-Toluenesulfonyl hydrazide, p-Tolylsulfonyl hydrazide, p-Toluenesulfonic hydrazide, N-Toluolsulphonyl hydrazine, Hydrazine, p-tolylsulfonyl-, Toluene-4-sulfonyl hydrazide, Toluenesulfonic acid hydrazide, 4-Toluenesulfonyl hydrazide, p-Methylphenylsulfonylhydrazine, Toluene-4-sulphonohydrazide, p-Methylbenzenesulfonylhydrazine, p-Toluenesulfonic acid, hydrazide

Molecular Formula:	C₇H₁₀N₂O₂S	Molecular Weight:	186.231500 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: ICGLPKIVTVWCFT-UHFFFAOYSA-N

• Pachymic acid

IUPAC Name: (2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid | CAS Registry Number: 29070-92-6
Synonyms: Ambap5223, CCRIS 7792, CID5484385, Lanost-8-en-21-oic acid, 3-(acetyloxy)-16-hydroxy-24-methylene-, (3beta,16alpha)-

Molecular Formula:	C₃₃H₅₂O₅	Molecular Weight:	528.762980 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: VDYCLYGKCGVBHN-DRCQUEPLSA-N

• Paeoniflorin

Synonyms: Paeonia moutan, Paeony root, Ambap3981, AIDS002238, AIDS-002238, NSC178886, C09959, .beta.-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl

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

InChIKey: YKRGDOXKVOZESV-WRJNSLSBSA-N

• Paeonol (CAS: 522-41-0)

• Paeonol

IUPAC Name: 1-(2-hydroxy-4-methoxyphenyl)ethanone | CAS Registry Number: 552-41-0
Synonyms: PAEONOL, Peonol, Paeonal, 4-O-Methylresacetophenone, 2'-Hydroxy-4'-methoxyacetophenone, Resacetophenone-4-methyl ether, Spectrum2_001981, Spectrum3_001686, 2-Acetyl-5-methoxy-phenol, 2-Hydroxy-4-methoxyacetophenone, CBiol_000986, BSPBio_003212, H35803_ALDRICH, SPECTRUM1601021, SPBio_002161, Resacetophenone, 4-O-methyl ester, Ethanone, 1-(2-hydroxy-4-methoxyphenyl)-, 1-(2-Hydroxy-4-methoxyphenyl)ethanone, Acetophenone, 2'-hydroxy-4'-methoxy-, EINECS 209-012-2

Molecular Formula:	C₉H₁₀O₃	Molecular Weight:	166.173900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: UILPJVPSNHJFIK-UHFFFAOYSA-N

• Panaxatriol

IUPAC Name: (3S,5R,6R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol | CAS Registry Number: 32791-84-7
Synonyms: Ambap5262, AIDS031251, AIDS-031251, CID73599, NSC308880, NSC 308880, (3beta,6alpha,12beta,20R)-20,25-Epoxydammarane-3,6,12-triol, Dammarane-3,6,12-triol, 20,25-epoxy-, (3.beta.,6.beta.,12.beta.,20R)-

Molecular Formula:	C₃₀H₅₂O₄	Molecular Weight:	476.731480 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: QFJUYMMIBFBOJY-UXZRXANASA-N

• Patchouli alcohol

Synonyms: CID442384, C09705

Molecular Formula:	C₁₅H₂₆O	Molecular Weight:	222.366340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: GGHMUJBZYLPWFD-DUNKBJDJSA-N

• Peimine

Synonyms: Verticine, Zhebeinine, Wanpeinine A, Wanpeinine-A, 5,14-Cevanine-3,6,20-triol, (3beta,5alpha,6alpha)-Cevane-3,6,20-triol, C10830, Cevane-3,6,20-triol, (3beta,5alpha,6alpha,22beta)-, Cevane-3,6,20-triol, (3beta,5alpha,6alpha,25alpha)-, 5alpha,14alpha,22beta-Cevanine-3beta,6alpha,20beta-triol, 107299-20-7, 135636-54-3

Molecular Formula:	C₂₇H₄₅NO₃	Molecular Weight:	431.651100 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: IUKLSMSEHKDIIP-BZMYINFQSA-N

• Pheniramine

IUPAC Name: N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine | CAS Registry Number: 86-21-5
Synonyms: pheniramine, Feniramine, Prophenpyridamine, Tripoton, Propheniramine, Trimeton, Pyriton, Avil, Metron, Histapyridamine, Feniramina, Pheniraminum, Inhiston, Naphcon-A, Pheniramine Bimaleate, Feniramina [INN-Spanish], Pheniraminum [INN-Latin], Pheniramine [INN:BAN], VISINE-A, OPCON-A

Molecular Formula:	C₁₆H₂₀N₂	Molecular Weight:	240.343400 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IJHNSHDBIRRJRN-UHFFFAOYSA-N

• Phentolamine

IUPAC Name: 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol | CAS Registry Number: 50-60-2
Synonyms: phentolamine, Fentolamin, Regitine, Dibasin, Regitin, Regityn, phentolamine mesilate, Phentolamine mesylate, nchembio705-6, C 7337 Ciba, Spectrum_000077, Fentolamina [INN-Spanish], Phentolaminum [INN-Latin], Prestwick0_000230, Prestwick1_000230, Prestwick2_000230, Prestwick3_000230, Spectrum3_000788, Spectrum4_000899, Spectrum5_001704

Molecular Formula:	C₁₇H₁₉N₃O	Molecular Weight:	281.352260 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: MRBDMNSDAVCSSF-UHFFFAOYSA-N

• Phillyrin

IUPAC Name: (2S,3R,4S,5S,6R)-2-[4-[(1S,3aR,4R,6aR)-4-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 487-41-2
Synonyms: 4-(4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-2-methoxyphenyl, (1S-(1alpha,3aalpha,4beta,6aalpha))-beta-D-glucopyranoside, 81446-28-8, beta-D-Glucopyranoside, 4-(4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-2-methoxyphenyl, (1S-(1alpha,3aalpha,4beta,6aalpha))-

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

InChIKey: KFFCKOBAHMGTMW-LGQRSHAYSA-N

• Phlorizin

IUPAC Name: 1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one | CAS Registry Number: 60-81-1
Synonyms: Phloridzin, Phlorizoside, Phlorhizin, Phlorrhizin, Floridzin, Phlorizine, Phloridzosid, Phlorrhizen, Phloretin 2'-glucoside, Phlorhizin;Phlorizin, Spectrum_001291, SpecPlus_000325, Spectrum2_000701, Spectrum3_001227, Spectrum4_001651, Spectrum5_000521, Phloretin-2'-beta-glucoside, BSPBio_002674, KBioGR_002141, KBioSS_001771

Molecular Formula:	C₂₁H₂₄O₁₀	Molecular Weight:	436.409260 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	10

InChIKey: IOUVKUPGCMBWBT-QNDFHXLGSA-N

• Phthalamide

IUPAC Name: benzene-1,2-dicarboxamide | CAS Registry Number: 88-96-0
Synonyms: PHTHALAMIDE, Phthaldiamide, Phthalic acid diamide, o-Carbamoylbenzamide, o-Phthalamide, 1,2-Benzenedicarboxamide, Phthalic diamide, o-Phthalic acid diamide, benzene-1,2-dicarboxamide, WLN: ZVR BVZ, CCRIS 518, NCI-C03612, Oprea1_398146, HSDB 4087, NSC 5512, CHEBI:38799, EINECS 201-870-6, CID6956, NSC5512, MolPort-001-783-922

Molecular Formula:	C₈H₈N₂O₂	Molecular Weight:	164.161320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: NAYYNDKKHOIIOD-UHFFFAOYSA-N

• Physcion

IUPAC Name: 1,8-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione | CAS Registry Number: 521-61-9
Synonyms: Rheochrysidin, Physcione, Parietin, Methoxyemodin, Emodin 3-methyl ether, Emodin-3-methyl ether, Spectrum_001782, SpecPlus_000471, PHYSCION (SENNA), Spectrum2_000503, Spectrum3_001829, Spectrum4_000909, Spectrum5_001742, CCRIS 4399, BSPBio_003477, KBioGR_001378, KBioSS_002265, DivK1c_006567, SPECTRUM1504070, SPBio_000425

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

InChIKey: FFWOKTFYGVYKIR-UHFFFAOYSA-N

• Picroside I

Synonyms: 6'-Cinnamoylcatalpol, CHEBI:543993, EINECS 248-445-1, CID6440892, 31200-45-0, beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, 6-(3-phenyl-2-propenoate), (1aS-(1aalpha,1bbeta,2beta(E),5abeta,6beta,6aalpha))-

Molecular Formula:	C₂₄H₂₈O₁₁	Molecular Weight:	492.472520 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	11

InChIKey: XZGPUOQGERGURE-LUVHZPKESA-N

• Pingpeimine A

Synonyms: CID158259, Cevane-3,6,14,16,20-pentol, (3beta,5alpha,6alpha,16beta)-

Molecular Formula:	C₂₇H₄₅NO₅	Molecular Weight:	463.649900 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: IDFMBIWPULRZOJ-LPMWXLNZSA-N

• Pipecolic acid

IUPAC Name: piperidine-2-carboxylic acid | CAS Registry Number: 535-75-1
Synonyms: Homoproline, Pipecolinic acid, pipecolate, Dihydrobaikiane, l-Pipecolic acid, L-pipecolate, Piperolinic acid, homopipecolic acid, Hexahydropicolinic acid, Pipecolic acid, L-, L-Pipecolinic acid, 2-PIPERIDINECARBOXYLIC ACID, DL-Pipecolinic acid, .alpha.-Pipecolinic acid, Acide pipecolique [French], Pipecolic acid free base, Pipecolic acid, L-(-)-, Pipecolic acid, (S)-(-)-, pipecolic acid, ion (1-), NCIOpen2_001582

Molecular Formula:	C₆H₁₁NO₂	Molecular Weight:	129.157040 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: HXEACLLIILLPRG-UHFFFAOYSA-N

• Piperazine-2-carboxylic acid methyl ester dihydrochloride

IUPAC Name: methyl piperazine-2-carboxylate;dihydrochloride | CAS Registry Number: 122323-88-0
Synonyms: Methyl Piperazine-2-carboxylate Dihydrochloride, Piperazine-2-carboxylicacidmethylesterdihydrochloride, PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER-2HCl, 3-aminopiperidine-3-carboxylic acid dihydrochloride, PubChem24366, AC1MC2NE, SureCN1512332, KSC791E8T, CTK6J1289, MolPort-000-158-316, ANW-48742, AKOS015845300, AG-B-43496, AK-44504, BR-44504, KB-80032, FT-0083936, FT-0659371, X9518, A12937

Molecular Formula:	C₆H₁₄Cl₂N₂O₂	Molecular Weight:	217.093560 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: ZBYFDUSYNDLSND-UHFFFAOYSA-N

• Podofilox

IUPAC Name: (5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one | CAS Registry Number: 518-28-5
Synonyms: podophyllotoxin, Condylox, Condyline, Wartec, Warticon, Podophyllotoxin 7, Mayapple isolate, Epipodophyllotoxin, Podofilox [USAN], Podophyllinic acid lactone, Condylox (TN), Podofilox (USAN), Prestwick_1018, (-)-Podophyllotoxin, Podophyllotoxin (BAN), Spectrum_000199, Podophyllotoxin (8CI), Prestwick0_000782, Prestwick1_000782, Prestwick2_000782

Molecular Formula:	C₂₂H₂₂O₈	Molecular Weight:	414.405280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: YJGVMLPVUAXIQN-XVVDYKMHSA-N

• Polydatin

IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 27208-80-6
Synonyms: Piceid, Ambap3820, 3,4,5-Tsg, MLS000759499, MLS001424114, 572691_ALDRICH, Resveratrol 3-beta-mono-D-glucoside, AIDS070480, AIDS-070480, CID5281718, 3,5,4'-Trihydroxystilbene 3-glucoside, CPD000466371, SAM001246720, SMR000466371, 3,4,5-Trihydroxystilbene-3-beta-monoglucoside, C10275, 3,4'-5-Trihydroxystilbene-3-beta-D-glucopyranoside, 3-Hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl-beta-D-glucoside, beta-D-Glucopyranoside, 3-hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl, beta-D-Glucopyranoside, 3-hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl-, (E)-

Molecular Formula:	C₂₀H₂₂O₈	Molecular Weight:	390.383880 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: HSTZMXCBWJGKHG-CUYWLFDKSA-N

• Polydatin

IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 65914-17-2
Synonyms: Piceid, Ambap3820, 3,4,5-Tsg, MLS000759499, MLS001424114, 572691_ALDRICH, Resveratrol 3-beta-mono-D-glucoside, AIDS070480, AIDS-070480, CID5281718, 3,5,4'-Trihydroxystilbene 3-glucoside, CPD000466371, SAM001246720, SMR000466371, 3,4,5-Trihydroxystilbene-3-beta-monoglucoside, C10275, 3,4'-5-Trihydroxystilbene-3-beta-D-glucopyranoside, 27208-80-6, 3-Hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl-beta-D-glucoside, beta-D-Glucopyranoside, 3-hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl

Molecular Formula:	C₂₀H₂₂O₈	Molecular Weight:	390.383880 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: HSTZMXCBWJGKHG-CUYWLFDKSA-N

• Polygalacic acid

IUPAC Name: (4aR,5R,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-5,10,11-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | CAS Registry Number: 22338-71-2
Synonyms: CID161388, Olean-12-en-28-oic acid, 2,3,16,23-tetrahydroxy-, (2beta,3beta,4alpha,16alpha)-

Molecular Formula:	C₃₀H₄₈O₆	Molecular Weight:	504.698520 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: KGGGRGBDMBZXKF-KZMOAHQXSA-N

• Prim-O-glucosylcimifugin

IUPAC Name: (2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydrofuro[3,2-g]chromen-5-one | CAS Registry Number: 80681-45-4
Synonyms: prim-O-glucosyl cimifugin, MLS002472946, CHEMBL1734606, MolPort-020-005-649, HMS2196A10, ZINC31158236, SMR001397054, FT-0686681, N1606, X1209

Molecular Formula:	C₂₂H₂₈O₁₁	Molecular Weight:	468.451120 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	11

InChIKey: XIUVHOSBSDYXRG-UVTAEQIVSA-N

• Propanamide, 2-(2,6-dichlorophenoxy)-

IUPAC Name: 2-(2,6-dichlorophenoxy)propanamide | CAS Registry Number: 344411-67-2
Synonyms: 2-(2,6-DICHLOROPHENOXY)PROPANAMIDE, AGN-PC-00LAUD, SureCN400373, PRO024, CTK4H2411, FD7351, AG-F-17762, Propanamide,2-(2,6-dichlorophenoxy)-, AK140530, KB-162269, Propanamide, 2-(2,6-dichlorophenoxy)-, (+)-, 2-(2,6-dichlorophenoxy)propanamide;Propanamide,2-(2,6-dichlorophenoxy)-

Molecular Formula:	C₉H₉Cl₂NO₂	Molecular Weight:	234.079260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: KVCQWFJJUHDPLB-UHFFFAOYSA-N

• PROPANAMIDE,N-(4-METHYL-PIPERIDIN-4-YL)-N-PHENYL-

IUPAC Name: N-(4-methylpiperidin-4-yl)-N-phenylpropanamide | CAS Registry Number: 303983-37-1
Synonyms: SureCN13534187, PRO025, Propanamide, N-(4-methyl-4-piperidinyl)-N-phenyl-

Molecular Formula:	C₁₅H₂₂N₂O	Molecular Weight:	246.347980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: DOLZBPYMBSDZDE-UHFFFAOYSA-N

• PROPANEDINITRILE,FORMYL-,ION(1-),SODIUM

IUPAC Name: sodium;2-formylpropanedinitrile | CAS Registry Number: 239118-84-4
Synonyms: DB-050229

Molecular Formula:	C₄HN₂NaO	Molecular Weight:	116.050 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: LRJSJYLKMCOXPI-UHFFFAOYSA-N

• PROPANEDIOIC ACID,(1-METHYLETHYL)-,MONOMETHYL ESTER

IUPAC Name: 2-methoxycarbonyl-3-methylbutanoic acid | CAS Registry Number: 103495-93-8
Synonyms: AGN-PC-00N4HO, PRO031, 2-methoxycarbonyl-3-methylbutanoic acid, Propanedioic acid, 2-(1-methylethyl)-, monomethyl ester

Molecular Formula:	C₇H₁₂O₄	Molecular Weight:	160.167780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: MUYBFZWJFOROCA-UHFFFAOYSA-N

• PROPYL[2,6'-BI-1H-BENZO[D]IMIDAZOL]-1'-YL]METHYL]-

IUPAC Name: 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzonitrile | CAS Registry Number: 144702-27-2
Synonyms: 2-Descarboxy-2-cyano Telmisartan, (1,1'-Biphenyl)-2-carbonitrile, 4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidazol)-1'-yl)methyl)-, [1,1'-Biphenyl]-2-carbonitrile, 4'-[[1,4'-dimethyl-2'-propyl[2,6'-bi-1H-benzimidazol]-1'-yl]methyl]-, Telmisartan Impurity G, UNII-A8M0GXG1XV, AGN-PC-00ITLH, SureCN2020774, Telmisartan impurity G [EP], BIP007, FT-0665981, 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzonitrile, 4'-((4-Methyl-6-(1-methyl-1H-benzimidazol-2-yl)-2-propyl-1H-benzimidazol-1-yl)methyl)biphenyl-2-carbonitrile, 4'-[(1,4'-Dimethyl-2'-propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl]-[1,1'-biphenyl]-2-carbonitrile

Molecular Formula:	C₃₃H₂₉N₅	Molecular Weight:	495.616860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: XIEVZYAEXURSHX-UHFFFAOYSA-N

• Prothionamide

IUPAC Name: 2-propylpyridine-4-carbothioamide | CAS Registry Number: 14222-60-7
Synonyms: Protionamide, prothionamide, Trevintix, Ektebin, Tuberex, Prothionamidum, Protionizina, Protionamid, Tebeform, Peteha, Trevintix (TN), Protionamide (INN), 2-Propylthioisonicotinamide, Prothionamide (JP15), Protionamidum [INN-Latin], 2-Propyl-thioisonicotinamide, Protionamida [INN-Spanish], Spectrum2_000019, Spectrum3_001964, 2-Propylisonicotinylthioamide

Molecular Formula:	C₉H₁₂N₂S	Molecular Weight:	180.269980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: VRDIULHPQTYCLN-UHFFFAOYSA-N

• Protodioscin

Synonyms: Ambap1257, C08907

Molecular Formula:	C₅₁H₈₄O₂₂	Molecular Weight:	1049.199460 [g/mol]
H-Bond Donor:	13	H-Bond Acceptor:	22

InChIKey: LVTJOONKWUXEFR-UEZXSUPNSA-N

• Protopine

Synonyms: protopine, Corydinine, Macleyine, Fumarine, Biflorine, Alk-3, nchembio.105-comp25, Oprea1_718853, Oprea1_722246, HSDB 3527, PROTOPINE HYDROCHLORIDE, STOCK1N-10749, 6164-47-2 (hydrochloride), ACon1_001550, C20H19NO5, CHEBI:16415, EINECS 204-999-6, CID4970, MolPort-000-882-087, AIDS040935

Molecular Formula:	C₂₀H₁₉NO₅	Molecular Weight:	353.368560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: GPTFURBXHJWNHR-UHFFFAOYSA-N

• Pseudoephedrine

IUPAC Name: (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol | CAS Registry Number: 90-82-4
Synonyms: Isoephedrine, trans-Ephedrine, PSEUDOEPHEDRINE, Sudafed, d-Pseudoephedrine, d-Isoephedrine, Psi-ephedrine, Psi-ephedrin, d-psi-Ephedrine, Besan, (+)-Pseudoephedrine, L(+)-psi-Ephedrine, (+)-threo-Ephedrine, (+)-psi-Ephedrine, L-(+)-Pseudoephedrine, Pseudoephedrine (D), ()-psi-Ephedrine, ()-Pseudoephedrine, ( )-Pseudoephedrine, Pseudoephedrine, (+)-

Molecular Formula:	C₁₀H₁₅NO	Molecular Weight:	165.232200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: KWGRBVOPPLSCSI-WCBMZHEXSA-N

• Pseudohypericin

Synonyms: pseudohypericin, Psuedohypericin, Hypericum Extract, AIDS000118, AIDS-000118, C30H16O9, HSCI1_000222, LMPK02000043, NSC624609, CID5281751, SMP2_000351, LS-175684, C10392, C056602, Phenanthro(1,10,9,8-opgra)perylene-7,14-dione, 1,3,4,6,8,13-hexahydroxy-10-(hydroxymethyl)-11-methyl-, stereoisomer

Molecular Formula:	C₃₀H₁₆O₉	Molecular Weight:	520.442640 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	9

InChIKey: YXBUQQDFTYOHQI-UHFFFAOYSA-N

• Pseudolaric Acid B

Synonyms: Pseudolaric acid B, C23H28O8, CID6436202, LS-66350, 1H-4,9a-Ethanocyclohepta(c)pyran-7-carboxylic acid, 4a-(acetyloxy)-3-(4-carboxy-1,3-pentadienyl)-3,4,4a,5,6,9-hexahydro-3-methyl-1-oxo-, 7-methyl ester, (3R-(3alpha(1E,3E),4alpha,4aalpha,9aalpha))-, 1H-4,9a-Ethanocyclohepta(c)pyran-7-carboxylic acid, 4a-(acetyloxy)-3-(4-carboxy-1,3-pentadienyl)3,4,4a,5,6,9-hexahydro-3-methyl-1-oxo-, 7-methyl ester, (3-alpha(1E,3E),4-alpha,4a-alpha,9a-alpha)-(-)-, 1H-4,9a-Ethanocyclohepta(c)pyran-7-carboxylic acid, 4a-(acetyloxy)-3-(4-carboxy-1,3-pentadienyl)3,4,4a,5,6,9-hexahydro-3-methyl-1-oxo-, 7-methyl ester, (3-alpha(1E,3E),4-alpha,4a-alpha,9a-alpha)-(-)- (9CI)

Molecular Formula:	C₂₃H₂₈O₈	Molecular Weight:	432.463620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: XRLYZNSOXNPKOR-CBDALDGHSA-N

• Psoralen

IUPAC Name: furo[3,2-g]chromen-7-one | CAS Registry Number: 66-97-7
Synonyms: Ficusin, Furocoumarin, Psoralene, Psorline-P, Phytoalexin, Psolaren, 6,7-Furanocoumarin, Furo(3,2-g)-coumarin, PHYTOALEXIN-CMPD, Furo[3,2-g]coumarin, 7H-Furo[3,2-g][1]benzopyran-7-one, CCRIS 4343, Furo(2',3',7,6)coumarin, Furo(4',5',6,7)coumarin, Furo[4',5':6,7]coumarin, Oprea1_841692, HSDB 3528, MLS001304059, P8399_SIGMA, 7H-Furo[3,2-g]chromen-7-one

Molecular Formula:	C₁₁H₆O₃	Molecular Weight:	186.163540 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZCCUUQDIBDJBTK-UHFFFAOYSA-N