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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• Dl-Alpha-Amino-Epsilon-Caprolactam

IUPAC Name: 3-aminoazepan-2-one | CAS Registry Number: 671-42-1
Synonyms: 3-aminoazepan-2-one, 3-Amino-2-azepanone, 3-Aminohexahydro-2H-azepin-2-one, alpha-amino-epsilon-caprolactam, CHEBI:19471, AKE-BBV-098802, l-Alpha-amino-epsilon-caprolactam, 2H-Azepin-2-one, 3-aminohexahydro-, dl-Alpha-amino-epsilon-caprolactam, EINECS 211-584-3, CID102463, NSC522223, D-(+)-.alpha.-Amino-eta-caprolactam, BBV-098802, D-(+)-.alpha.-Amino-.epsilon.-caprolactam, C02837, 17929-90-7

Molecular Formula:	C₆H₁₂N₂O	Molecular Weight:	128.172280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: BOWUOGIPSRVRSJ-UHFFFAOYSA-N

• DL-Ephedrine Hydrochloride

IUPAC Name: 2-(methylamino)-1-phenylpropan-1-ol hydrochloride | CAS Registry Number: 134-71-4
Synonyms: Ephetonine, Ephetonin, Racephedrine HCl, Racephedrine hydrochloride, EPHEDRINE HCL, Ephedrine hydrochloride, dl-Pseudoephedrine HCl, dl-Ephedrine hydrochloride, Ephedrine dl- hydrochloride, UNII-43SK4LAO7D, C10H15NO.HCl, dl-Pseudoephedrine hydrochloride, D-PSEUDOEPHEDRINE HCL, SPECTRUM1500525, 1-Phenyl-2-methylaminopropanol-1, Ephedrine, hydrochloride, (+-)-, NIOSH/DO9540000, EINECS 205-153-9, CID8648, MolPort-002-319-931

Molecular Formula:	C₁₀H₁₆ClNO	Molecular Weight:	201.693140 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	2

InChIKey: BALXUFOVQVENIU-UHFFFAOYSA-N

• Ecdysterone

IUPAC Name: (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one | CAS Registry Number: 5289-74-7
Synonyms: beta-Ecdysone, Polypodine A, Crustecdysone, Isoinokosterone, Viticosterone, Commisterone, Crustecdyson, Ecdysteron, 20-HYDROXYECDYSONE, 20-OH ecdysone, ECDYSONE, Insect moulting hormone, THE-7, MLS001164644, H5142_SIGMA, CHEBI:16587, AIDS013374, AIDS-013374, NSC629484, ZINC04165898

Molecular Formula:	C₂₇H₄₄O₇	Molecular Weight:	480.634060 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	7

InChIKey: NKDFYOWSKOHCCO-YPVLXUMRSA-N

• Ellagic Acid

Synonyms: ellagic acid, Benzoaric acid, Lagistase, Eleagic acid, Elagostasine, Alizarine Yellow, Llagic acid, Ellagsaeure, Polyphenolic, Gallogen, Acid, Benzoaric, Gallogen (VAN), Acid, Ellagic, Ellagic acid dihydrate, Gallogen (astringent), Gallogen, astringent, Spectrum_001194, Spectrum2_000905, Spectrum3_001535, Spectrum4_000750

Molecular Formula:	C₁₄H₆O₈	Molecular Weight:	302.192640 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: AFSDNFLWKVMVRB-UHFFFAOYSA-N

• Emodin

IUPAC Name: 1,3,8-trihydroxy-6-methylanthracene-9,10-dione | CAS Registry Number: 518-82-1
Synonyms: emodin, Emodol, Schuttgelb, Frangula emodin, Rheum emodin, Archin, Frangulic acid, Persian Berry Lake, rheum emodium, Frangula-emodin, Aloe emodin, Emodin, Rheum, Emodin, Frangula, persian b erry lake, C.I. Natural Yellow 14, Spectrum_001954, 1f0q, SpecPlus_000332, Spectrum2_000895, Spectrum3_000742

Molecular Formula:	C₁₅H₁₀O₅	Molecular Weight:	270.236900 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: RHMXXJGYXNZAPX-UHFFFAOYSA-N

• Ephedrine

IUPAC Name: (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol | CAS Registry Number: 299-42-3
Synonyms: l-Ephedrine, Sanedrine, Ephedrin, Ephedrol, Mandrin, Fedrin, (-)-Ephedrine, Biophedrin, Ephedremal, Ephedrital, Ephedrosan, Ephedrotal, Ephendronal, Lexofedrin, Ephedral, Ephedsol, Ephoxamin, Kratedyn, Manadrin, Vencipon

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

InChIKey: KWGRBVOPPLSCSI-WPRPVWTQSA-N

• Epigallo Catechin Gallate (EGCG)

IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate | CAS Registry Number: 989-51-5
Synonyms: EGCG, Tea catechin, Epigallocatechin gallate, Teavigo, Epigallocatechin 3-gallate, Catechin deriv., EGCG cpd, (-)-Epigallocatechin gallate, Green tea extract, Epigallocatechin-3-gallate, Ambap721, epigallo-catechin gallate, Spectrum_000316, SpecPlus_000277, Spectrum2_000168, Spectrum3_000244, Spectrum4_001541, Spectrum5_000102, Galloyl-L-epigallocatechol, (-)-Epigallocatechol gallate

Molecular Formula:	C₂₂H₁₈O₁₁	Molecular Weight:	458.371720 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	11

InChIKey: WMBWREPUVVBILR-WIYYLYMNSA-N

• Epimedin A

IUPAC Name: 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one | CAS Registry Number: 110623-72-8
Synonyms: N1683

Molecular Formula:	C₄₀H₅₂O₁₉	Molecular Weight:	836.829480 [g/mol]
H-Bond Donor:	11	H-Bond Acceptor:	19

InChIKey: OKOVXNDIKBDKAA-OIAFWOJHSA-N

• Epimedin B

IUPAC Name: 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | CAS Registry Number: 110623-73-9
Synonyms: CID5748393, 4H-1-Benzopyran-4-one, 3-((6-deoxy-2-O-beta-D-xylopyranosyl-alpha-L-mannopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-

Molecular Formula:	C₃₈H₄₈O₁₉	Molecular Weight:	808.776320 [g/mol]
H-Bond Donor:	10	H-Bond Acceptor:	19

InChIKey: OCZZCFAOOWZSRX-LRHLXKJSSA-N

• Epimedin C

IUPAC Name: 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | CAS Registry Number: 110642-44-9
Synonyms: CID5748394, 4H-1-Benzopyran-4-one, 3-((6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-alpha-L-mannopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-

Molecular Formula:	C₃₉H₅₀O₁₉	Molecular Weight:	822.802900 [g/mol]
H-Bond Donor:	10	H-Bond Acceptor:	19

InChIKey: ULZLIYVOYYQJRO-JIYCBSMMSA-N

• Epimedium Extract

IUPAC Name: 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one | CAS Registry Number: 489-32-7
Synonyms: Icariin, Spectrum2_001695, Spectrum3_001130, Spectrum4_001975, Spectrum5_000933, BSPBio_002599, KBioGR_002475, MLS000759413, MLS001424083, SPECTRUM1505257, SPBio_001650, KBio3_002099, BB_NC-0999, Anhydroicaritin-3-O-alpha-rhamnoside, ZINC03960893, CID5318997, SDCCGMLS-0066754.P001, NCGC00178583-01, CPD000466309, SAM001246560

Molecular Formula:	C₃₃H₄₀O₁₅	Molecular Weight:	676.661700 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	15

InChIKey: TZJALUIVHRYQQB-XLRXWWTNSA-N

• Epinine Hcl

IUPAC Name: 4-[2-(methylamino)ethyl]benzene-1,2-diol hydrochloride | CAS Registry Number: 62-32-8
Synonyms: Ephinine hydrochloride, Epinine hydrochloride, EPININE HCl, Methyldopamine hydrochloride, N-Methyldopamine hydrochloride, Deoxyepinephrine hydrochloride, MLS000859907, MLS001332603, MLS001332604, D5886_SIGMA, N-Methyl- dopamine hydrochloride, EINECS 200-528-3, WLN: QR BQ D2M1 &GH, NSC 294897, CID86470, NSC294897, 3,4-Dihydroxyphenethylmethylammonium chloride, 3,4-Dihydroxyphenylethylmethylamine hydrochloride, 4-(2-Methylaminoethyl)pyrocatechol hydrochloride, NCGC00093818-01

Molecular Formula:	C₉H₁₄ClNO₂	Molecular Weight:	203.665960 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	3

InChIKey: JCDRZCWRRLKLTB-UHFFFAOYSA-N

• Esculin

IUPAC Name: 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one | CAS Registry Number: 531-75-9
Synonyms: aesculin, Esculoside, Enallachrome, Polychrome, Bicolorin, Crataegin, Esculine, Polychrom, Escosyl, Vitamin C2, Spectrum_000361, Esculetin 6-O-glucoside, Spectrum2_000576, Spectrum3_000731, Spectrum4_001923, Spectrum5_000845, Esculetin 6-b-D-glucoside, BSPBio_002282, KBioGR_002266, KBioSS_000841

Molecular Formula:	C₁₅H₁₆O₉	Molecular Weight:	340.282140 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	9

InChIKey: XHCADAYNFIFUHF-TVKJYDDYSA-N

• ETHANAMINE,2-(1H-INDOL-3-YLOXY)-N-METHYL-

IUPAC Name: 2-(1H-indol-3-yloxy)-N-methylethanamine | CAS Registry Number: 775516-65-9
Synonyms: Ethanamine, 2-(1H-indol-3-yloxy)-N-methyl-, SureCN4979438, ETH031, ETH055, CTK9A4594, 1244949-77-6

Molecular Formula:	C₁₁H₁₄N₂O	Molecular Weight:	190.241660 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: VQAQCWBUMUIIOQ-UHFFFAOYSA-N

• Ethanol, 2-[2-(1-Piperazinyl)ethoxy]-, Dihydrochloride

IUPAC Name: 2-(2-piperazin-1-ylethoxy)ethanol dihydrochloride | CAS Registry Number: 85293-16-9
Synonyms: EINECS 286-638-2, CID3020606, 2-(2-(Piperazin-1-yl)ethoxy)ethanol HCl, 2-(2-(Piperazin-1-yl)ethoxy)ethanol dihydrochloride, I13-0051

Molecular Formula:	C₈H₂₀Cl₂N₂O₂	Molecular Weight:	247.162600 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: JCYZKOJFYMJJTJ-UHFFFAOYSA-N

• ETHANOL,2-(METHYLAMINO)-,ACETATE ESTER

IUPAC Name: 2-(methylamino)ethyl acetate | CAS Registry Number: 26921-43-7
Synonyms: 2-(methylamino)ethyl acetate, SCHEMBL1892585, AKOS006346880, KB-280837

Molecular Formula:	C₅H₁₁NO₂	Molecular Weight:	117.146340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZKXGCJWETIMHPS-UHFFFAOYSA-N

• Ethanone, 1-(2-amino-3-chloro-4-methoxyphenyl)-

IUPAC Name: 1-(2-amino-3-chloro-4-methoxyphenyl)ethanone | CAS Registry Number: 923289-36-5
Synonyms: 1-(2-Amino-3-chloro-4-methoxyphenyl)ethanone, (2-Amino-3-chloro-4-methoxyphenyl)acetone, zlchem 578, PubChem19251, SureCN312482, ETH028, CTK3I6529, ZLD0022, 4-Acetyl-3-amino-2-chloroanisole, ACT05999, 6-Acetyl-2-chloro-3-methoxyaniline, ANW-44592, ZINC21982986, AKOS006326843, AC-1150, AK-81807, EN000388, KB-50574, AM20080547, FT-0656821

Molecular Formula:	C₉H₁₀ClNO₂	Molecular Weight:	199.634200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: MVFUMUMEMBVBLZ-UHFFFAOYSA-N

• Ethanone, 1-(2-amino-4-methoxy-3-methylphenyl)-

IUPAC Name: 1-(2-amino-4-methoxy-3-methylphenyl)ethanone | CAS Registry Number: 912347-94-5
Synonyms: 1-(2-amino-4-methoxy-3-methylphenyl)ethanone, 2-METHYL-3-AMINO-4-ACETYLANISOLE, AG-H-74222, (2-Amino-3-methyl-4-methoxyphenyl)acetone, 1-(2-amino-4-methoxy-3-methylphenyl)-Ethanone, zlchem 579, PubChem19710, SureCN312873, ETH027, CTK5G9092, ZLD0023, ACT06000, ANW-52323, SBB069164, ZINC21303871, AKOS006306549, RP24058, AK-26434, BR-26434, EN000387

Molecular Formula:	C₁₀H₁₃NO₂	Molecular Weight:	179.215720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: VXBGCEDOGYNWHE-UHFFFAOYSA-N

• Ethanone, 2-bromo-1-(2,5-dimethyl-4-oxazolyl)-

IUPAC Name: 2-bromo-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone | CAS Registry Number: 113732-62-0
Synonyms: 2-Bromo-1-(2,5-dimethyloxazol-4-yl)ethanone, 2-BROMO-1-(2,5-DIMETHYL-4-OXAZOLYL)-ETHANONE, AGN-PC-000C0W, ETH018, AKOS015911278, AK135033, EN001274, KB-228536, 2-bromo-1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone, I14-39057, 2-BROMO-1-(2,5-DIMETHYL-4-OXAZOLYL) ETHANONE

Molecular Formula:	C₇H₈BrNO₂	Molecular Weight:	218.047920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: QTGWJHMRJZSAND-UHFFFAOYSA-N

• Ethanone, 2-bromo-1-(3,5-dimethyl-1H-pyrazol-1-yl)-

IUPAC Name: 2-bromo-1-(3,5-dimethylpyrazol-1-yl)ethanone | CAS Registry Number: 83612-48-0
Synonyms: 1-(BROMOACETYL)-3,5-DIMETHYL-1H-PYRAZOLE, STK359110, PYR006, MolPort-004-761-229, ZINC20095812, AKOS003397665, MCULE-3706533959, KB-147632, 2-bromo-1-(3,5-dimethyl-1-pyrazolyl)ethanone, 2-bromanyl-1-(3,5-dimethylpyrazol-1-yl)ethanone, A840611, 2-bromo-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethanone

Molecular Formula:	C₇H₉BrN₂O	Molecular Weight:	217.063160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IUWPRQGEQIIFCG-UHFFFAOYSA-N

• Ethanone, 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)-

IUPAC Name: 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone | CAS Registry Number: 204205-33-4
Synonyms: 2-bromo-2-(2-fluorophenyl)-1-cyclopropylethanone, 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone, PubChem19832, ETH032, CTK1A1324, ANW-46083, FC1324, SBB070887, AKOS015854297, AG-E-49682, QC-8934, RP29149, AK-44978, EN000409, AB1004592, KB-168705, A4444, AM20090723, FT-0649302, I14-6513

Molecular Formula:	C₁₁H₁₀BrFO	Molecular Weight:	257.098903 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: LMCZCCDXOZGIND-UHFFFAOYSA-N

• Ethanone,2-bromo-1-pyrazinyl-

IUPAC Name: 2-bromo-1-pyrazin-2-ylethanone | CAS Registry Number: 132426-19-8
Synonyms: 2-Bromo-1-pyrazin-2-yl-ethanone, 2-bromo-1-pyrazin-2-ylethanone, Ethanone, 2-bromo-1-pyrazinyl-, 2-bromo-1-(pyrazin-2-yl)ethanone, 2-Bromo-1-pyrazinylethanone, PubChem21375, 2-(Bromoacetyl)pyrazine, 2-(2-Bromoacetyl)pyrazine, ETH022, CTK8C0104, MolPort-003-986-376, 2-Bromo-1-(2-pyrazinyl) Ethanone, ANW-64104, FD7249, SBB069054, WTI-11634, ZINC02546217, AKOS015914892, AG-D-65912, Ethanone, 2-bromo-1-(2-pyrazinyl)-

Molecular Formula:	C₆H₅BrN₂O	Molecular Weight:	201.020700 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: UJIRAGIEBOAGOA-UHFFFAOYSA-N

• Ethionamide

IUPAC Name: 2-ethylpyridine-4-carbothioamide | CAS Registry Number: 536-33-4
Synonyms: ethionamide, Ethioniamide, Ethyonomide, Etioniamid, Etionamid, Ethylisothiamide, Ethinamide, Amidazine, Thioamide, Trecator, Trecator-SC, Etiocidan, Etionizin, Etionizina, Etionizine, Fatoliamid, Isotiamida, Rigenicid, Thioniden, Trescatyl

Molecular Formula:	C₈H₁₀N₂S	Molecular Weight:	166.243400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: AEOCXXJPGCBFJA-UHFFFAOYSA-N

• ETHOXYCHELERYTHRIN

IUPAC Name: 13-ethoxy-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine | CAS Registry Number: 79559-55-0
Synonyms: AC1NSV9I, SCHEMBL13103363, Y0019, 12,13-Dihydro-13-ethoxy-1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridine, 13-ethoxy-1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine

Molecular Formula:	C₂₃H₂₃NO₅	Molecular Weight:	393.439 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: OXEZOWCIRUNPIN-UHFFFAOYSA-N

• ETHYL (Z)-2-ACETYLHEX-2-ENOATE

IUPAC Name: ethyl (Z)-2-acetylhex-2-enoate | CAS Registry Number: 31336-34-2
Synonyms: NSC408274, ethyl (2Z)-2-acetyl-2-hexenoate, CID5385631

Molecular Formula:	C₁₀H₁₆O₃	Molecular Weight:	184.232240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: YCFIMPXZYSZJBO-CLFYSBASSA-N

• ETHYL 1,5-BENZODIOXEPIN-2-CARBOXYLATE

IUPAC Name: ethyl 2H-1,5-benzodioxepine-2-carboxylate | CAS Registry Number: 91497-22-2
Synonyms: CTK5G9722, AG-H-75551

Molecular Formula:	C₁₂H₁₂O₄	Molecular Weight:	220.221280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: QIRQHBHSBIRZOS-UHFFFAOYSA-N

• Ethyl 2-amino-alpha-(hydroxyimino)thiazol-4-acetate

IUPAC Name: ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate | CAS Registry Number: 60845-81-0
Synonyms: 2-(2-Amino-4-thiazolyl)-2-(hydroxyimino)acetic Acid Ethyl Ester, 64485-82-1, Ethyl 2-(2-Amino-4-thiazolyl)-2-(hydroxyimino)acetate, ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate, ACMC-209nmh, Ethyl 2-(2-aminothiazole-4-yl)-2-hydroxyiminoacetate, AC1O9WL4, Oprea1_290571, KSC493G0H, CTK3J3303, CTK6F2766, ANW-34887, AG-C-25736, MCULE-6639768626, KB-124702, ETHYL (Z)-2-HYDROXYIMINO-2-(2-AMINOTHIAZOLE-4-YL)ACETATE

Molecular Formula:	C₇H₉N₃O₃S	Molecular Weight:	215.229660 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: BTEPYCPXBCCSDL-UHFFFAOYSA-N

• Ethyl 4-(4-Chlorophenyl)-3-Methyl-2,4-Dioxo-Butyrate

IUPAC Name: ethyl 4-(4-chlorophenyl)-3-methyl-2,4-dioxobutanoate | CAS Registry Number: 169544-41-6
Synonyms: AmbTiE40001, MolPort-000-003-580, CID5051380, E40001, Ethyl 4-(4-chlorophenyl)-3-methyl-2,4-dioxo-butanoate, Ethyl 4-(4-chlorophenyl)-3-methyl-2,4-dioxo-butyrate

Molecular Formula:	C₁₃H₁₃ClO₄	Molecular Weight:	268.692920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: CWGPJEWLCBNHJQ-UHFFFAOYSA-N

• Ethyl 4-Chloro Acetoacetate

IUPAC Name: ethyl 4-chloro-3-oxobutanoate | CAS Registry Number: 638-07-3
Synonyms: Ethyl 4-chloroacetoacetate, Ethyl gamma-chloroacetoacetate, Ethyl 4-chloro-3-oxobutanoate, CCRIS 6791, ghl.PD_Mitscher_leg0.842, 180769_ALDRICH, 22813_FLUKA, EINECS 211-317-0, Butanoic acid, 4-chloro-3-oxo-, ethyl ester, BRN 1761275, ZINC01845882, Acetoacetic acid, 4-chloro-, ethyl ester, LS-13047, ST5214458, TL8004494, 4-03-00-01550 (Beilstein Handbook Reference)

Molecular Formula:	C₆H₉ClO₃	Molecular Weight:	164.586860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: OHLRLMWUFVDREV-UHFFFAOYSA-N

• Ethyl 4-methyl cinnamate

IUPAC Name: ethyl 3-(4-methylphenyl)prop-2-enoate | CAS Registry Number: 20511-20-0
Synonyms: NSC338436

Molecular Formula:	C₁₂H₁₄O₂	Molecular Weight:	190.238360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IMKVSWPEZCELRM-UHFFFAOYSA-N

• ETHYL N-(5-METHYL(PYRIDIN-2-YL))CARBAMATE

IUPAC Name: ethyl N-(5-methylpyridin-2-yl)carbamate | CAS Registry Number: 41322-67-2
Synonyms: 6-Methyl-2-pyridylurethane, ChemDiv2_000487, MolPort-001-490-814, STK457051, HMS1370G03, BRN 0141894, CID218942, ZINC00253701, 5-Methyl-2-pyridinecarbamic acid ethyl ester, ethyl (5-methylpyridin-2-yl)carbamate, LS-130340, 2-Pyridinecarbamic acid, 5-methyl-, ethyl ester, 5-22-09-00294 (Beilstein Handbook Reference)

Molecular Formula:	C₉H₁₂N₂O₂	Molecular Weight:	180.203780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: LFWDOAOPDAIEKD-UHFFFAOYSA-N

• Ethyl Trifluoroacetoacetate

IUPAC Name: ethyl 4,4,4-trifluoro-3-oxobutanoate | CAS Registry Number: 372-31-6
Synonyms: Ethyl trifluoroacetoacetate, Ethyl 4,4,4-trifluoroacetoacetate, Ethyl (trifluoroacetyl)acetate, E50205_ALDRICH, 91670_FLUKA, NSC42739, EINECS 206-750-7, NSC 42739, SBB008825, ZINC01675532, Ethyl 3-oxo-4,4,4-trifluorobutyrate, Butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester, AI3-52657, TL8002743, Acetoacetic acid, 4,4,4-trifluoro-, ethyl ester, 3S103742, 3S211037

Molecular Formula:	C₆H₇F₃O₃	Molecular Weight:	184.113190 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: OCJKUQIPRNZDTK-UHFFFAOYSA-N

• Ethyl-2-(2-Aminothiazole-4-Yl) Acetate

IUPAC Name: ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate | CAS Registry Number: 53266-94-7
Synonyms: Maybridge3_006161, Oprea1_589016, Ethyl 2-aminothiazole-4-acetate, MLS000521344, 220558_ALDRICH, Ethyl 2-aminothiazol-4-acetate, 09486_FLUKA, Ethyl 2-amino-4-thiazoleacetate, ZINC00035856, ALBB-001556, EINECS 258-452-1, CID104454, SBB000258, Ethyl (2-amino-1,3-thiazol-4-yl)acetate, IDI1_017548, SMR000131752, EU-0066637, AB-601/30963022, SR-01000597199-2

Molecular Formula:	C₇H₁₀N₂O₂S	Molecular Weight:	186.231500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: SHQNGLYXRFCPGZ-UHFFFAOYSA-N

• Ethyl-4-(1-hydroxy-1-methylethyl)-2-propyl-imidazole-5-carboxylate

IUPAC Name: ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-4-carboxylate | CAS Registry Number: 144689-93-0
Synonyms: Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-imidazole-5-carboxylate, 4-(1-hydroxy-1-methylethyl)-2-propyl-1H-imidazole-5-carboxylic acid ethyl ester, Ethyl 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate, Ethyl-4-(1-Hydroxy-1-Methylethyl)- 2-Propyl-Imidazole-5-Carboxylate, PubChem7109, SureCN987234, SureCN6596819, ACMC-1C67Q, KSC498E6H, Jsp002616, CTK3J8263, MolPort-003-986-433, ANW-50511, SBB067042, ZINC21298029, AKOS015856335, AM84409, RP17570, AC-15367, AK-23904

Molecular Formula:	C₁₂H₂₀N₂O₃	Molecular Weight:	240.298800 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: KZBJJAFGNMRRHN-UHFFFAOYSA-N

• Eucalyptol

IUPAC Name: 4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane | CAS Registry Number: 470-82-6
Synonyms: cineole, 1,8-Cineole, Cajeputol, Zineol, Eucalyptole, Eucapur, 1,8-Cineol, Terpan, p-Cineole, 1,8-Epoxy-p-menthane, Cucalyptol, Soledum, Limonene oxide, 1,8-Oxido-p-menthane, Zedoary oil, Cineole (VAN), Eukalyptol [Czech], Eucalyptol [USAN], Eucalyptol (natural), Eucalyptol (USAN)

Molecular Formula:	C₁₀H₁₈O	Molecular Weight:	154.249320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: WEEGYLXZBRQIMU-UHFFFAOYSA-N

• Evodiamine

Synonyms: Evodiamine, Evodia rutaecarpa, BB_NC-1930, CID442088, ZINC00898159, C09187
Molecular Formula: C₁₉H₁₇N₃O Molecular Weight: 303.357780 [g/mol]
H-Bond Donor: 1 H-Bond Acceptor: 3

InChIKey: TXDUTHBFYKGSAH-SFHVURJKSA-N

• Evodine

Synonyms: Limonin, Evodin, Dictamnolactone, Citrolimonin, Obaculactone, Limonoid, Evodia fruit, Limonoate D-ring-lactone, Evodia fruit (TN), Ambap2144, Evodia fruit (JP15), Spectrum2_001728, Spectrum3_001012, Spectrum4_001140, Spectrum5_000935, BSPBio_002763, KBioGR_001659, SPECTRUM1800018, SPBio_001776, Limonoic acid, di-delta-lactone

Molecular Formula:	C₂₆H₃₀O₈	Molecular Weight:	470.511600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: KBDSLGBFQAGHBE-MSGMIQHVSA-N

• Farrerol

IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one | CAS Registry Number: 24211-30-1
Synonyms: CID442396, ZINC04098306, C09734

Molecular Formula:	C₁₇H₁₆O₅	Molecular Weight:	300.305940 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: DYHOLQACRGJEHX-ZDUSSCGKSA-N

• Fenoxazoline

IUPAC Name: 2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole | CAS Registry Number: 4846-91-7
Synonyms: Fenossazolina, Fenoxazolinum, Fenoxazolina, Fenoxazoline (INN), Fenoxazoline [INN], Fenossazolina [DCIT], Fenoxazolinum [INN-Latin], Fenoxazolina [INN-Spanish], UNII-97JJW1W1R3, CHEBI:112847, CID71899, EINECS 225-437-6, 21370-21-8 (unspecified hydrochloride), D07372, 2-(2-Isopropyl-phenoxymethyl)-4,5-dihydro-1H-imidazole

Molecular Formula:	C₁₃H₁₈N₂O	Molecular Weight:	218.294820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: GFYSWQDCHLWRMQ-UHFFFAOYSA-N

• Flubendazole

IUPAC Name: methyl N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate | CAS Registry Number: 31430-15-6
Synonyms: Fluvermal, Flubenol, Flumoxal, Flumoxane, fluoromebendazole, Flubendazol, Flumoxanal, Flicum, Ambap6379, Flubendazol [INN-Spanish], Flubendazolum [INN-Latin], Flubendazole (USAN/INN), CCRIS 4480, Flubendazole [USAN:BAN:INN], MLS000759477, MLS001424042, 34091_RIEDEL, C16H12FN3O3, EINECS 250-624-4, NSC313680

Molecular Formula:	C₁₆H₁₂FN₃O₃	Molecular Weight:	313.283183 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: CPEUVMUXAHMANV-UHFFFAOYSA-N

• Formamide, N-(2-formylphenyl)-

IUPAC Name: N-(2-formylphenyl)formamide | CAS Registry Number: 25559-38-0
Synonyms: N-(2-formylphenyl)formamide, 2-formylphenylformamide, 2-formylaminobenzaldehyde, n-(2-formylphenyl)formamid, 2-formamidobenzaldehyde, AC1Q1HCN, C03574, AC1L195G, FOR001, CHEBI:18033, CTK8C1011, CPD-248, MolPort-004-766-416, ANW-65713, AR-1J7928, ZINC00901765, AKOS006306338, AK-89371, EN001600, AB1010172

Molecular Formula:	C₈H₇NO₂	Molecular Weight:	149.146680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: PVIMSPYDDGDCTG-UHFFFAOYSA-N

• Fraxetin

IUPAC Name: 7,8-dihydroxy-6-methoxychromen-2-one | CAS Registry Number: 574-84-5
Synonyms: Spectrum_001507, SpecPlus_000477, Spectrum2_001639, Spectrum3_001842, Spectrum4_001686, Spectrum5_000332, Oprea1_735469, BSPBio_003224, KBioGR_001952, KBioSS_001987, DivK1c_006573, SPECTRUM1504069, SPBio_001737, 254916_ALDRICH, MEGxp0_000506, STOCK1N-06249, 6-methoxy-7,8-dihydroxycoumarin, ACon0_001071, ACon1_000442, KBio1_001517

Molecular Formula:	C₁₀H₈O₅	Molecular Weight:	208.167520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: HAVWRBANWNTOJX-UHFFFAOYSA-N

• Fraxinellone

IUPAC Name: (3R,3aR)-3-furan-3-yl-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one | CAS Registry Number: 28808-62-0
Synonyms: CHEBI:525218, NSC638730, CID124039, NCI60_012928, LS-109400, Phthalide, 3-(3-furyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-, 1(3H)-Isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-, (3R-cis)-, 1(3H)-Isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-, (3R-cis)- (9CI)

Molecular Formula:	C₁₄H₁₆O₃	Molecular Weight:	232.275040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: XYYAFLHHHZVPRN-GXTWGEPZSA-N

• Galantamine

Synonyms: galanthamine, Lycoremin, Jilkon, (-)-Galanthamine, Galanthaminum, Galantamin, Lycoremine, Reminyl, Nivaline, Razadyne, Nivalin, Razadyne ER, 1qti, Reminyl (TN), Galantamine [USAN:INN], Spectrum_001271, 1dx6, Galantaminum [INN-Latin], Galanthamine hydrobromide, Galantamina [INN-Spanish]

Molecular Formula:	C₁₇H₂₁NO₃	Molecular Weight:	287.353540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ASUTZQLVASHGKV-JDFRZJQESA-N

• GALLOCATECHOL

IUPAC Name: (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol | CAS Registry Number: 1617-55-6
Synonyms: Gallocatechin, Gallocatechol, dl-Gallocatechin, (+)-Gallocatechin, (+-)-Gallocatechin, (+-)-Gallocatechol, Gallocatechol, (+-)-, MEGxp0_000240, ACon1_000994, CHEBI:310260, MolPort-001-740-421, AIDS071291, AIDS-071291, CID65084, LMPK12020002, NSC674038, ZINC03870338, NCGC00169777-01, NCI60_026203, NP-000591

Molecular Formula:	C₁₅H₁₄O₇	Molecular Weight:	306.267460 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	7

InChIKey: XMOCLSLCDHWDHP-SWLSCSKDSA-N

• Gardenoside

IUPAC Name: methyl (1S,4aS,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate | CAS Registry Number: 24512-62-7
Synonyms: CID442423, C09779

Molecular Formula:	C₁₇H₂₄O₁₁	Molecular Weight:	404.365860 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	11

InChIKey: XJMPAUZQVRGFRE-AYDWLWLASA-N

• Gastrodin

IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol | CAS Registry Number: 62499-27-8
Synonyms: Gastrodine, BB_NC-1038, CID115067, ZINC03881790, beta-D-Glucopyranoside, 4-(hydroxymethyl)phenyl, LS-183144

Molecular Formula:	C₁₃H₁₈O₇	Molecular Weight:	286.277820 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	7

InChIKey: PUQSUZTXKPLAPR-UJPOAAIJSA-N

• Genistin

IUPAC Name: 5-hydroxy-3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | CAS Registry Number: 529-59-9
Synonyms: Genistoside, Genistine, Genistein 7-glucoside, Genistein glucoside, Genistein-7-glucoside, Genisteol 7-monoglucoside, Genistin (8CI), Ambap535, Genistein 7-O-beta-D-glucoside, G0897_SIGMA, Genistein, 7-O-beta-D-glucoside, MEGxp0_000436, NSC 5112, 48756_FLUKA, ACon1_001495, CHEBI:27514, Genistein, 7-beta-D-glucopyranoside, Glucopyranoside, genistein-7, beta-D-, BRN 0064479, C21H20O10

Molecular Formula:	C₂₁H₂₀O₁₀	Molecular Weight:	432.377500 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	10

InChIKey: ZCOLJUOHXJRHDI-CMWLGVBASA-N

• Gentiopicrin

IUPAC Name: (5R,6S)-5-ethenyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-3H-pyrano[3,4-c]pyran-1-one | CAS Registry Number: 20831-76-9
Synonyms: Gentiopicroside, Ambap5970, MEGxp0_000872, ACon1_001284, EINECS 244-070-2, LMPR01020110, ZINC04098340, NCGC00180669-01, C09782, (5R-trans)-6-(beta-D-Glucopyranosyloxy)-5,6-dihydro-5-vinyl-1H,3H-pyrano(3,4-c)pyran-1-one, 1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-(beta-D-glucopyranosyloxy)-5,6-dihydro-, (5R-trans)-

Molecular Formula:	C₁₆H₂₀O₉	Molecular Weight:	356.324600 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: DUAGQYUORDTXOR-GPQRQXLASA-N

• Ginkgolide A

Molecular Formula:	C₂₀H₂₄O₉	Molecular Weight:	408.399160 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	9

InChIKey: FPUXKXIZEIDQKW-XUYRAXNCSA-N