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CMP Pharm Chemicals

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Profile: CMP Pharm Chemicals specializes in pharmaceutical contract research, process development, manufacturing & marketing of pharmaceutical intermediates and active pharmaceutical ingredients. Our heterocycles include 1-n-boc-2-pyrrolidinonitrile, (r)-1-boc-2-cyanopyrrolidine, n-boc-4-iodopiperidine, n-boc-piperidine-4-carboxylic acid, 1-n-boc-3-cyanopyrrolidine, 1-boc-3-hydroxymethylpyrrolidine, 2-methylnicotinic acid, 6-methylnicotinic acid, 2-methylisonicotinic acid, 1-n-ethoxycarbonyl-3-pyrrolidone and 3-hydroxy-2-pyrrolidinone. We manufacture various intermediate products including cephalosporin, 2,5-dicarboxylic acid-3,4-ethylenedioxythiophene, 5-(2-bromoethyl)-2,3-dihydrobenzofuran, methyl 6-bromo-2-naphthoate, melphalan, nadifloxacin, camostat, cidofovir, tropisetron, tigecycline, letrozole, fasudil and dacarbazine intermediates. We are also specialized in organic synthesis, especially in metal-mediated coupling, low-temperature organometallic chemistry, chiral resolution and multi-substituted heterocycles.

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• 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: C4H18NNaO10P2Molecular Weight: 325.123712 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 11

InChIKey: DCSBSVSZJRSITC-UHFFFAOYSA-M

• Aloe-emodine
IUPAC Name: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione | CAS Registry Number: 481-72-1
Synonyms: Aloe-emodin, Aloe emodin, Rhabarberone, emodin, Aloeemodin, aloe emodine, EMODINE, 3-Hydroxymethylchrysazin, Ambap3320, 3-Hydroxymethylchrysazine, CCRIS 3526, MLS000697563, A7687_SIGMA, NSC 38628, NSC38628, EINECS 207-571-7, AIDS048396, 1,8-Dihydroxy-3-hydroxymethylanthraquinone, AIDS-048396, C15H10O5

Molecular Formula: C15H10O5Molecular Weight: 270.236900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: YDQWDHRMZQUTBA-UHFFFAOYSA-N

• Alpha-Arbutin
IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol | CAS Registry Number: 84380-01-8
Synonyms: arbutin, alpha-Arbutin, CID158637, alpha-D-Glucopyranoside, 4-hydroxyphenyl, C12079

Molecular Formula: C12H16O7Molecular Weight: 272.251240 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: BJRNKVDFDLYUGJ-ZIQFBCGOSA-N

• Amberol
IUPAC Name: (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran | CAS Registry Number: 6790-58-5
Synonyms: (-)-Ambroxide, 1,5,5,9-Tetramethyl-13-oxatricyclo[8.3.0.04,9]tridecane, FEMA No. 3471, Ambroxide, (-)-ambrox, SureCN114912, DSSTox_CID_27113, DSSTox_RID_82123, DSSTox_GSID_47113, W347108_ALDRICH, 379220_ALDRICH, CHEMBL496447, CTK8F1392, MolPort-006-109-376, EINECS 229-861-2, Tox21_302674, ZINC01043941, AG-G-58029, NCGC00256883-01, L374

Molecular Formula: C16H28OMolecular Weight: 236.392920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YPZUZOLGGMJZJO-LQKXBSAESA-N

• Amygdalin
IUPAC Name: (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile | CAS Registry Number: 29883-15-6
Synonyms: amygdalin, D-Amygdalin, (R)-Laenitrile, (R)-Amygdaloside, (R)-Amygdalin, STOCK1N-52529, CHEBI:17019, SMP1_000103, D(-)-Mandelonitrile-beta-D-gentiobioside, (-)-D-mandelonitrile beta-D-gentiobioside, TL8002322, C08325, D-Mandelonitrile-beta-D-glucosido-6-beta-D-glucoside, (2R)-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy](phenyl)acetonitrile

Molecular Formula: C20H27NO11Molecular Weight: 457.428480 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 12

InChIKey: XUCIJNAGGSZNQT-JHSLDZJXSA-N

• Anisodamine
IUPAC Name: [(3S,7S)-7-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate | CAS Registry Number: 55869-99-3
Synonyms: anisodamine, 6-Hydroxyhyoscyamine, CID442993, C10842

Molecular Formula: C17H23NO4Molecular Weight: 305.368820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: WTQYWNWRJNXDEG-ABSNHQIMSA-N

• Apigenin
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | CAS Registry Number: 520-36-5
Synonyms: apigenin, Apigenine, Chamomile, Apigenol, Spigenin, Versulin, 4',5,7-Trihydroxyflavone, Pelargidenon 1449, Prestwick_719, C.I. Natural Yellow 1, nchembio790-comp26, Tocris-1227, 5,7,4'-Trihydroxyflavone, BiomolKI_000078, Prestwick0_000414, Prestwick1_000414, Prestwick2_000414, Prestwick3_000414, Spectrum2_000428, Spectrum3_001882

Molecular Formula: C15H10O5Molecular Weight: 270.236900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-N

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

Molecular Formula: C12H16O7Molecular Weight: 272.251240 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: BJRNKVDFDLYUGJ-RMPHRYRLSA-N

• Azelnidipine
IUPAC Name: 3-O-[1-[di(phenyl)methyl]azetidin-3-yl] 5-O-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate | CAS Registry Number: 123524-52-7
Synonyms: Calblock, Azelnidipine [INN], Calblock (TN), Azelnidipine (JAN/INN), CS 905, CS-905, C33H34N4O6, CID65948, RS-9054, NCGC00167436-01, LS-131184, D01145, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-amino-6-methyl-4-(3-nitrophenyl)-, 3-(1-(diphenylmethyl)-3-azetidinyl) 5-(1-methylethyl) ester, (+-)-, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-amino-6-methyl-4-(3-nitrophenyl)-, 3-(1-(diphenylmethyl)-3-azetidinyl)-5-(1-methylethyl) esster, (+-)-, 3,5-Pyridinedicarboxylic acid, 2-amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-(1-(diphenylmethyl)-3-azetidinyl) 5-(1-methylethyl) ester, (+-)-, 3-(1-(Diphenylmethyl)-3-azetidinyl) 5-isopropyl (+-)-2-amino-1,4-dihydro-6-methyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate, 3-[1-(diphenylmethyl)azetidin-3-yl] 5-(1-methylethyl) 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2-amino-6-methyl-4-(3-nitrophenyl)-,3-(1-(diphenylmethyl)-3-azetidinyl)-5-(1-methylethyl) esster, (+-)-, 3-(1-diphenylmethylazetidin-3-yl)-5-isopropyl-2-amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

Molecular Formula: C33H34N4O6Molecular Weight: 582.646260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 9

InChIKey: ZKFQEACEUNWPMT-UHFFFAOYSA-N

• Baicalin
IUPAC Name: (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | CAS Registry Number: 21967-41-9
Synonyms: Baicalein 7-O-glucuronide, Baicalein-7-D-glucuronide, 572667_ALDRICH, CHEBI:2981, STOCK1N-21299, TJN-151, AIDS001402, 7-D-Glucuronic acid-5,6-dihydroxyflavone, AIDS-001402, CID64982, LS-71490, C10025, 5,6,7-Trihydroxyflavone-7-O-.beta.-D-glucopyranosideuronic acid, beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, 100647-26-5, 27462-75-5, 31564-28-0

Molecular Formula: C21H18O11Molecular Weight: 446.361020 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: IKIIZLYTISPENI-ZFORQUDYSA-N

• Benzenemethanamine, 2,4-difluoro-a-methyl-, (aS)-
IUPAC Name: (1S)-1-(2,4-difluorophenyl)ethanamine | CAS Registry Number: 845252-02-0
Synonyms: (S)-1-(2,4-Difluorophenyl)ethanamine, (1S)-1-(2,4-difluorophenyl)ethanamine, AC1Q29IL, SureCN1761854, AC1M111W, CTK7B8859, MolPort-005-313-508, ANW-46743, AKOS010396265, AG-A-01267, AK-73153, KB-03509, FT-0084233, W8720, EN300-87871

Molecular Formula: C8H9F2NMolecular Weight: 157.160566 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VBPKWFKAYDHOQW-YFKPBYRVSA-N

• Benzenemethanamine, 3,5-difluoro-a-methyl-, (aR)-
IUPAC Name: (1R)-1-(3,5-difluorophenyl)ethanamine | CAS Registry Number: 771465-40-8
Synonyms: (R)-1-(3,5-Difluorophenyl)ethanamine, SureCN1004099, MolPort-004-782-128, AKOS006293401, (1R)-1-(3,5-difluorophenyl)ethanamine, AK101128, KB-63087, (R)-3,5-Difluoro-alpha-methylbenzylamine, FT-0084277, Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaR)- (9CI)

Molecular Formula: C8H9F2NMolecular Weight: 157.160566 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XTIXPIMMHGCRJD-RXMQYKEDSA-N

• Benzenemethanamine, 3,5-difluoro-a-methyl-, (aS)-
IUPAC Name: (1S)-1-(3,5-difluorophenyl)ethanamine;hydrochloride | CAS Registry Number: 444643-16-7
Synonyms: (S)-1-(3,5-Difluorophenyl)ethanamine hydrochloride, (S)-1-(3,5-DIFLUOROPHENYL)ETHANAMINE-HCl, CTK8B4550, MolPort-003-981-945, ANW-45450, SBB070348, AKOS015849040, AKOS015890318, AK-42191, KB-03534, FT-0658148, W6333, B-1976, I01-6058, (1R)-1-(3,5-Difluorophenyl)ethylamine hydrochloride, (R)-3,5-Difluoro-alpha-methylbenzylamine hydrochloride, 1213128-98-3

Molecular Formula: C8H10ClF2NMolecular Weight: 193.621506 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: YSKNBJOMVKILCE-JEDNCBNOSA-N

• Benzenemethanamine, 3-chloro-a-methyl-, (R)-
IUPAC Name: (1R)-1-(3-chlorophenyl)ethanamine | CAS Registry Number: 17061-53-9
Synonyms: (R)-1-(3-chlorophenyl)ethanamine, (R)-1-(3-Chlorophenyl)ethylamine, (R)-3-Chloro-|A-methylbenzylamine, AG-E-19842, (1R)-1-(3-chlorophenyl)ethanamine, SureCN382596, AC1M884V, AC1Q299F, Jsp003476, CTK4D3640, MolPort-003-985-808, AC-2284, AK-33658, KB-63093, AB1006476, TL8001341, FT-0084271, FT-0648149, W3721, EN300-87766

Molecular Formula: C8H10ClNMolecular Weight: 155.624700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DQEYVZASLGNODG-ZCFIWIBFSA-N

• Benzenemethanamine, 3-chloro-a-methyl-,(S)-
IUPAC Name: (1S)-1-(3-chlorophenyl)ethanamine | CAS Registry Number: 68297-62-1
Synonyms: (S)-1-(3-chlorophenyl)ethanamine, (S)-1-(3-Chlorophenyl)ethylamine, (1S)-1-(3-chlorophenyl)ethanamine, AG-G-61795, AC1Q29IP, SureCN2032469, AC1M884G, CTK5C7736, MolPort-003-985-807, (S)-3-Chloro-|A-methylbenzylamine, AKOS010399809, AC-2283, AK-36101, KB-03537, AB1006475, TL8004795, FT-0084272, FT-0648198, W7854, EN300-87767

Molecular Formula: C8H10ClNMolecular Weight: 155.624700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DQEYVZASLGNODG-LURJTMIESA-N

• Benzenemethanamine, 4-(1,1-dimethylethyl)-a-methyl-, (aR)-
IUPAC Name: (1R)-1-(4-tert-butylphenyl)ethanamine | CAS Registry Number: 511256-38-5
Synonyms: (R)-1-(4-tert-butylphenyl)ethanamine, AC1Q298R, CTK4J3704, MolPort-003-986-907, ANW-60007, AKOS010377534, (R)-1-(4-tert-Butylphenyl)ethylamine, AG-F-72578, (1R)-1-(4-tert-butylphenyl)ethanamine, AK-26053, KB-02673, TL8003387, (1R)-1-(4-tert-butylphenyl)ethan-1-amine, A7559, FT-0648603, V1293, EN300-66895, I14-12049, Benzenemethanamine,4-(1,1-dimethylethyl)-a-methyl-, (aR)-, 1-CHLOROINDANE;Benzenemethanamine, 4-(1,1-dimethylethyl)-A'A|AfA-methyl-, (A'A|AfAR)-

Molecular Formula: C12H19NMolecular Weight: 177.285960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HZUDLUBTTHIVTP-SECBINFHSA-N

• Benzenemethanamine, 4-(1,1-dimethylethyl)-a-methyl-, (aS)-
IUPAC Name: (1S)-1-(4-tert-butylphenyl)ethanamine | CAS Registry Number: 511256-37-4
Synonyms: (S)-1-(4-tert-butylphenyl)ethanamine, (1S)-1-(4-tert-butylphenyl)ethanamine, AC1OE6Q3, SureCN9984888, AC1Q29I1, CTK4J3703, MolPort-003-986-906, ANW-60008, (S)-1-(4-tert-Butylphenyl)ethylamine, AG-F-72577, AK-26052, KB-03562, TL8003386, FT-0648602, V1294, EN300-87783, I14-12048, Benzenemethanamine,4-(1,1-dimethylethyl)-a-methyl-, (aS)-, S-a-methyl-4-(tert-butyl)-benzylamine;Benzenemethanamine, 4-(1,1-dimethylethyl)-a-methyl-, (aS)-;Benzenemethanamine, 4-(1,1-dimethylethyl)-A'A|AfA-methyl-, (A'A|AfAS)-

Molecular Formula: C12H19NMolecular Weight: 177.285960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HZUDLUBTTHIVTP-VIFPVBQESA-N

• Benzylamine, a,2,4,6-tetramethyl-,(S)-(-)-
IUPAC Name: (1S)-1-(2,4,6-trimethylphenyl)ethanamine | CAS Registry Number: 20050-17-3
Synonyms: (1S)-1-mesitylethanamine, AC1Q29HE, CTK6B4423, MolPort-005-313-476, AG-A-01394, AG-E-46745, KB-75074, EN300-87829, Benzenemethanamine,a,2,4,6-tetramethyl-,(aS)-, Benzylamine,a,2,4,6-tetramethyl-, (S)-(-)-(8CI);(S)-(1-(2,4,6-Trimethylphenyl)ethyl)amine;

Molecular Formula: C11H17NMolecular Weight: 163.259380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LVIICDKJNNIEQG-JTQLQIEISA-N

• Benzylamine,a,2,5-trimethyl-, (-)-
IUPAC Name: (1S)-1-(2,5-dimethylphenyl)ethanamine;hydrochloride | CAS Registry Number: 4187-33-1
Synonyms: (1S)-1-(2,5-DIMETHYLPHENYL)ETHYLAMINE-HCl, (1S)-1-(2,5-Dimethylphenyl)ethylamine hydrochloride, MolPort-021-783-759, AKOS015923080, AKOS016028418, W6200, (1S)-1-(2,5-dimethylphenyl)ethan-1-amine hydrochloride

Molecular Formula: C10H16ClNMolecular Weight: 185.693740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: XQDCTHGENBYORR-FVGYRXGTSA-N

• Berberine
Synonyms: berberine, Berberin, Umbellatine, Berbericine, Umbellatin, Berbinium, Majarine, Thalsine, Coptis rhizome, Umbellatine (6CI), Coptis rhizome (TN), nchembio.105-comp4, nchembio.123-comp2, Powdered coptis rhizome, Spectrum_001110, Coptis rhizome (JP15), Prestwick0_000586, Prestwick1_000586, Prestwick2_000586, Prestwick3_000586

Molecular Formula: C20H18NO4+Molecular Weight: 336.361220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: YBHILYKTIRIUTE-UHFFFAOYSA-N

• Beta-Arbutin
IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol

Molecular Formula: C12H16O7Molecular Weight: 272.251240 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: BJRNKVDFDLYUGJ-RMPHRYRLSA-N

• Biapenem
IUPAC Name: (4R,5S,6S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-8-ium-6-ylsulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | CAS Registry Number: 120410-24-4
Synonyms: Omegacin, Omegacin (TN), Biapenem [USAN:INN], Biapenem (JAN/USAN/INN), CHEBI:3089, C15H18N4O4S, LJC-10627, LJ C10,627, CID71339, CLI 86815, CLI-86815, LJC 10627, LJC10,627, CLI 86,815, CL 186,815, L 627, L-627, CL-186815, LS-172449, TL8000539

Molecular Formula: C15H18N4O4SMolecular Weight: 350.392820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: MRMBZHPJVKCOMA-YJFSRANCSA-N

• Capecitabine
IUPAC Name: pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate | CAS Registry Number: 154361-50-9
Synonyms: Xeloda, CAPECITABINE, Capecitabine [USAN], Xeloda (TN), Capecitabine (JAN/USAN/INN), C15H22FN3O6, Ro 09-1978, DB01101, Ro-09-1978, LS-59070, N(4)-Pentyloxycarbonyl-5'-deoxy-5-fluorocytidine, Ro 09-1978/000, R-340, 5'-Deoxy-5-fluoro-N-((pentyloxy)carbonyl)cytidine, C12650, D01223, C110904, Cytidine, 5'-deoxy-5-fluoro-N-((pentyloxy)carbonyl)-, Pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate, Carbamic acid, (1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, pentyl ester

Molecular Formula: C15H22FN3O6Molecular Weight: 359.350083 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: GAGWJHPBXLXJQN-UORFTKCHSA-N

• CARDAMONIN, 98%
IUPAC Name: (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one | CAS Registry Number: 18956-16-6
Synonyms: Cardamonin, CARDAMOMIN, UNII-H8KP1OJ8JX, 2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (2E)-, (E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-2-propen-1-one, 19309-14-9, Alpinetin chalcone, 2'4'-Dihydroxy-6'-methoxy-chalcone, H8KP1OJ8JX, SureCN449220, AC1LD3L2, (8CI); Alpinetin chalcone, (E)-1-(2,4-Dihydroxy-6-methoxy-phenyl)-3-phenyl-propenone, MLS000876992, CHEMBL378104, MEGxp0_000534, ACon1_000221, CHEBI:449910, MolPort-000-165-365, HMS2271N04

Molecular Formula: C16H14O4Molecular Weight: 270.279960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: NYSZJNUIVUBQMM-BQYQJAHWSA-N

• Cinepazide maleate
IUPAC Name: (Z)-but-2-enedioic acid; (E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one | CAS Registry Number: 26328-04-1
Synonyms: cinepazide maleate, Cinepazide maleate (JAN), CID5282458, D01944

Molecular Formula: C26H35N3O9Molecular Weight: 533.570800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: XSTJTOKYCAJVMJ-GVTSEVKNSA-N

• Clinofibrate
IUPAC Name: 2-[4-[1-[4-(1-hydroxy-2-methyl-1-oxobutan-2-yl)oxyphenyl]cyclohexyl]phenoxy]-2-methylbutanoic acid | CAS Registry Number: 30299-08-2
Synonyms: clinofibrate, Lipoclin, Lipoclin (TN), Clinofibrate [INN:JAN], Clinofibratum [INN-Latin], Clinofibrato [INN-Spanish], Clinofibrate (JP15/INN), CID2787, C28H36O6, BRN 2230067, NCGC00167453-01, LS-47934, S 8527, D01300, S-8527, 2,2'-(4,4'-Cyclohexylidenediphenoxy)-2,2'-dimethyldibutyric acid, 2,2'-(Cyclohexylidenebis(4,1-phenyleneoxy))bis(2-methylbutanoic acid), 2,2'-(Cyclohexylidenebis(p-phenyleneoxy))bis(2-methylbutyric acid), 2,2'-Cyclohexane-1,1-diylbis(p-phenyleneoxy)bis(2-methylbutyric acid), 1,1-bis(4'-(1''-carboxy-1''-methylpropoxy)phenyl)cyclohexane

Molecular Formula: C28H36O6Molecular Weight: 468.581840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: BMOVQUBVGICXQN-UHFFFAOYSA-N

• Cnidium Monnier
IUPAC Name: 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one | CAS Registry Number: 484-12-8
Synonyms: Osthole, Osthol, Ostole, Ostol, Spectrum_001542, SpecPlus_000946, Spectrum2_000723, Spectrum3_001645, Spectrum4_001687, Spectrum5_000334, 7-Methoxy-8-isopentenylcoumarin, 8-(3-Methyl-2-butenyl)herniarin, Oprea1_642606, Oprea1_873803, BSPBio_003369, KBioGR_001954, KBioSS_002022, MLS000574904, MLS001048988, DivK1c_007042

Molecular Formula: C15H16O3Molecular Weight: 244.285740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MBRLOUHOWLUMFF-UHFFFAOYSA-N

• Cyclobutaneethanamine
IUPAC Name: 2-cyclobutylethanamine | CAS Registry Number: 60637-97-0
Synonyms: 2-CYCLOBUTYLETHYLAMINE, CYCLOBUTANEETHANAMINE, SureCN454474, 2-CYCLOBUTYLETHANAMINE, (2-CYCLOBUTYLETHYL)AMINE, 2-CYCLOBUTYL-1-ETHANAMINE, 2-CYCLOBUTYLETHAN-1-AMINE, MolPort-019-796-029, AKOS006313138, MCULE-2620603238, PB23748, KB-170229

Molecular Formula: C6H13NMolecular Weight: 99.174120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MGAPESYORZVKQD-UHFFFAOYSA-N

• Cyclobutanemethylamine
IUPAC Name: cyclobutylmethanamine | CAS Registry Number: 4415-83-2
Synonyms: CYCLOBUTYLMETHYLAMINE, 1-Cyclobutylmethylamine, cyclobutylmethanamine, Cyclobutanemethanamine, AG-F-55299, PubChem21304, SureCN19455, AC1L8XL0, CTK1D5721, MolPort-004-326-484, ANW-45665, AKOS000164040, LS40614, MCULE-4977602211, RP08316, AK-44297, BR-44297, KB-76234, AM20070613, FT-0650014

Molecular Formula: C5H11NMolecular Weight: 85.147540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LQNHRNOPWKZUSN-UHFFFAOYSA-N

• Cycloheptanemethylamine
IUPAC Name: cycloheptylmethanamine | CAS Registry Number: 4448-77-5
Synonyms: Cycloheptylmethylamine, cycloheptylmethanamine, CID78194, EINECS 224-692-0, BBV-15953328

Molecular Formula: C8H17NMolecular Weight: 127.227280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: CAOQEOHEZKVYOJ-UHFFFAOYSA-N

• Cyclohexaneethanamine
IUPAC Name: 2-cyclohexylethanamine | CAS Registry Number: 4442-85-7
Synonyms: Cyclohexaneethylamine, 2-Cyclohexylethylamine, 2-Aminoethylcyclohexane, 2-Cyclohexyl-ethylamine, WLN: L6TJ A2Z, Cyclohexaneethanamine (9CI), Cyclohexaneethylamine (8CI), ETHYLAMINE, 2-CYCLOHEXYL-, NSC 59005, WIN 5522-2, EINECS 224-673-7, CHEBI:123200, MolPort-002-041-195, NSC 44879, CID20509, NSC44879, NSC59005, BRN 2689115, BBV-078300, LS-68037

Molecular Formula: C8H17NMolecular Weight: 127.227280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HFACYWDPMNWMIW-UHFFFAOYSA-N

• Cyclopentaneethanamine
IUPAC Name: 2-cyclopentylethanamine | CAS Registry Number: 5763-55-3
Synonyms: 2-cyclopentylethanamine, 2-Cyclopentylethylamine, 2-Cyclopentyl-ethylamine, (2-Cyclopentylethyl)amine, 2-cyclopentylethan-1-amine, ST4129372, AC1NS8ST, SureCN919957, AC1Q54D5, AC1Q54D6, CTK1G8998, A4079/0173858, MolPort-002-017-722, 2-CYCLOPENTYL-1-ETHANAMINE, ANW-49604, SBB072011, STK664197, AKOS000164317, AB02350, AG-A-41868

Molecular Formula: C7H15NMolecular Weight: 113.200700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UKPLRVAKKXWITN-UHFFFAOYSA-N

• Cyclopentanemethylamine
IUPAC Name: cyclopentylmethanamine | CAS Registry Number: 6053-81-2
Synonyms: CID80153, EINECS 227-965-2

Molecular Formula: C6H13NMolecular Weight: 99.174120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UBLYEVLMRSPMOG-UHFFFAOYSA-N

• Cytidine, 2'-deoxy-2',2'-difluoro-, 3',5'-dibenzoate (9CI)
IUPAC Name: [(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-benzoyloxy-4,4-difluorooxolan-2-yl]methyl benzoate | CAS Registry Number: 134790-39-9
Synonyms: RP17935, 2'-Deoxy-2',2'-difluoro-3',5'-bis-O-benzoylcytidine

Molecular Formula: C23H19F2N3O6Molecular Weight: 471.410266 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: ZPUUYUUQQGBHBU-JNEOBVTJSA-N

• Cytisine (CAS: 98485-35-8)
• D-Azetidine-2-carboxylic acid
IUPAC Name: (2R)-azetidine-2-carboxylic acid | CAS Registry Number: 7729-30-8
Synonyms: (R)-azetidine-2-carboxylic acid, (2R)-azetidine-2-carboxylic acid, D-2-Azetidinecarboxylic acid, (+)-AZETIDINECARBOXYLIC ACID, (2R)-(+)-Azetidine-2-carboxylic acid, 2-AZETIDINECARBOXYLIC ACID, (2R)-, (R)-azetidine-2-carboxylicacid, AC1LCUKK, PubChem19101, AZETIDINE (L), Lopac-A-0760, D-H-AZE-OH, SureCN1527305, UNII-J6H985U0M8, 2-Azetidinecarboxylic acid, D-, CHEBI:38109, CTK8B6063, MolPort-000-000-566, BH276, 2-Azetidinecarboxylic acid, (+)-

Molecular Formula: C4H7NO2Molecular Weight: 101.103880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IADUEWIQBXOCDZ-GSVOUGTGSA-N

• Decitabine
IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one | CAS Registry Number: 2353-33-5
Synonyms: Dezocitidine, Dacogen, 5-Aza-2'-deoxycytidine, AzadC, 5-Azadeoxycytidine, 5-aza-CdR, 5-aza-dC, Dacogen (TN), 2'-Deoxy-5-azacytidine, 5A2dc, 5-aza-2-deoxycytidine, 5-AZAdC, NCGC_5ADOC, Decitabine (USAN/INN), MolMap_000063, MLS001332587, MLS001332588, A3656_SIGMA, 5-Aza-2′-Deoxycytidine, 5-Deoxy-2′-azacytidine

Molecular Formula: C8H12N4O4Molecular Weight: 228.205280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: XAUDJQYHKZQPEU-KVQBGUIXSA-N

• Demecarium bromide
IUPAC Name: trimethyl-[3-[methyl-[10-[methyl-[3-(trimethylazaniumyl)phenoxy]carbonylamino]decyl]carbamoyl]oxyphenyl]azanium dibromide | CAS Registry Number: 56-94-0
Synonyms: Humorsol, Frumtosnil, Visumiotic, Tosmicil, Tosmilen, Tosmilene, Visumatic, Tonilen, demecastigmine, Demecarium, Demekarium bromide, DEMECARIUM BROMIDE, Demekastigmine bromide, Humorsol (TN), Demecarii bromidum [INN-Latin], HSDB 2168, Demecarium bromide (USP/INN), Demecarium bromide [BAN:INN], Demecarium bromide [INN:BAN], BC 48

Molecular Formula: C32H52Br2N4O4Molecular Weight: 716.587680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: YHKBUDZECQDYBR-UHFFFAOYSA-L

• Deticene
IUPAC Name: (5Z)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide | CAS Registry Number: 4342-03-4
Synonyms: dacarbazine, Biocarbazine, Decarbazine, DTIC-Dome, Biocarbazine R, Imidazole carboxamide, DTIC, ICDT, DTICDome, DTIE, ICDMT, DTIC Dome, Spectrum_000884, Prestwick0_000574, Prestwick1_000574, Prestwick2_000574, Prestwick3_000574, Spectrum2_001148, Spectrum3_000366, Spectrum4_000308

Molecular Formula: C6H10N6OMolecular Weight: 182.183200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: OMJKFYKNWZZKTK-POHAHGRESA-N

• Diacerein
IUPAC Name: 4,5-diacetyloxy-9,10-dioxoanthracene-2-carboxylic acid | CAS Registry Number: 13739-02-1
Synonyms: Diacetylrhein, Diacerhein, Artrodar, Fisiodar, Zondar, Diacerein [INN], Rhein, diacetate, 4,5-Diacetylrhein, Diacereine [French], Diacereinum [Latin], Diacerein (INN), Diacereina [Spanish], Zondar (TN), Spectrum_001876, SpecPlus_000643, Spectrum2_000823, Spectrum3_000937, Spectrum4_001036, Spectrum5_001819, Rhein, diacetate (6CI)

Molecular Formula: C19H12O8Molecular Weight: 368.293780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: TYNLGDBUJLVSMA-UHFFFAOYSA-N

• Docetaxel
Synonyms: docetaxel, Taxotere, Docetaxol, Docetaxel anhydrous, nchembio853-comp8, Docetaxel, Trihydrate, nchembio.2007.34-comp7, 01885_FLUKA, XRP-6976L, ANX-514, SDP-014, DB01248, NSC-628503, RP-56976, SL-00678, C11231, TXL, (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (aR,bS)-b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxybenzenepropanoate

Molecular Formula: C43H53NO14Molecular Weight: 807.879220 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 14

InChIKey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N

• Dodecylbenzenesulfonyl Azide
IUPAC Name: N-diazo-2-dodecylbenzenesulfonamide | CAS Registry Number: 79791-38-1
Synonyms: AG-H-19890, p-Dodecylbenzenesulfonyl azide, KSC377A6H, CTK2H7063, N-diazo-2-dodecylbenzenesulfonamide, ACN-S002524, ACT03278, N-diazo-2-dodecyl-benzenesulfonamide, ANW-42104, AKOS015889938, LS40152, BP-13012, ST51051878, A839758, 4-Dodecylbenzenesulfonylazide;p-Dodecylbenzenesulfonyl azide;

Molecular Formula: C18H29N3O2SMolecular Weight: 351.506760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ZCRVPHKAQIHANY-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: C15H10O5Molecular Weight: 270.236900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: RHMXXJGYXNZAPX-UHFFFAOYSA-N

• Emtricitabine
IUPAC Name: 4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one | CAS Registry Number: 143491-57-0
Synonyms: Emtriva, Coviracil, Racivir, Truvada, Mixture Name, dOTFC, Emtriva (TN), (-)-FTC, 2-FTC, (-)-.beta.-L-FTC, BW524W91, C8H10FN3O3S, DRG-0208, Emtricitabine (JAN/USAN/INN), HSDB 7337, 2'-Deoxy-5-fluoro-3'-thiacytidine, BW 524W91, BW-524W91, FTC, (-)-, AIDS004782

Molecular Formula: C8H10FN3O3SMolecular Weight: 247.246703 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: XQSPYNMVSIKCOC-NTSWFWBYSA-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: C33H40O15Molecular Weight: 676.661700 [g/mol]
H-Bond Donor: 8H-Bond Acceptor: 15

InChIKey: TZJALUIVHRYQQB-XLRXWWTNSA-N

• Erlotinib Hcl
IUPAC Name: 2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol | CAS Registry Number: 183321-84-8
Synonyms: 4-[(3-Ethynylphenyl)amino]-6,7-bis(2-hydroxyethoxy)quinazoline, Erlotinib metabolite, O-Didesmethylerlotinib, AGN-PC-00S2OQ, CTK4D8462, ZINC22057163, AKOS015907687, AG-E-33052, KB-188465, FT-0658083, ST51054786, A812765, I14-2708, 2-[[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)-6-quinazolinyl]oxy]ethanol, 2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol, 2-[4-[(3-ethynylphenyl)amino]-7-(2-hydroxyethyloxy)quinazolin-6-yl]oxyethanol, Ethanol,2-[[4-[(3-ethynylphenyl)amino]-6-(2-hydroxyethoxy)-7-quinazolinyl]oxy]-, Ethanol,2,2'-[[4-[(3-ethynylphenyl)amino]-6,7-quinazolinediyl]bis(oxy)]bis- (9CI);CP373943;2,2'-[{4-[(3-Ethynylphenyl)amino]-6,7-quinazolinediyl}bis(oxy)]diethanol;

Molecular Formula: C20H19N3O4Molecular Weight: 365.382560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: YWSAEKIQJPQSDJ-UHFFFAOYSA-N

• Erlotinib Hydrochloride
IUPAC Name: N-(4-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride | CAS Registry Number: 183319-69-9
Synonyms: Tarceva, Erlotinib hydrochloride, Tarceva (TN), Erlotinib hydrochloride (JAN/USAN), CID11954378, D04023

Molecular Formula: C22H24ClN3O4Molecular Weight: 429.896660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: OMDIKDVVYHAXGO-UHFFFAOYSA-N

• Fasudil
IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | CAS Registry Number: 103745-39-7
Synonyms: Eril, Fasudil [INN], 2esm, 2gni, Fasudil hydrochloride, Fasudilum [INN-Latin], Tocris-0541, 1q8w, BiomolKI_000038, BiomolKI2_000046, Fasudil (HA-1077), ha-1077, BSPBio_001111, KBioGR_000451, KBioSS_000451, AT 877, HA1077, C14H17N3O2S, HA 1077, KBio2_000451

Molecular Formula: C14H17N3O2SMolecular Weight: 291.368680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: NGOGFTYYXHNFQH-UHFFFAOYSA-N

• Fasudil Hydrochloride
IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrochloride | CAS Registry Number: 105628-07-7
Synonyms: Fasudil hydrochloride, Fasudil, Fasdil, Eril, AT 877 hydrochloride, HA 1077 hydrochloride, Fasudil hydrochloride (JAN), C14H17N3O2S.HCl, MLS000069344, ha-1077, HA-1077 DIHYDROCHLORIDE, AT-877, CID163751, NCGC00180915-01, LS-60222, SMR000058993, D01840, 1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-, monohydrochloride, Hexahydro-1-(5-isoquinolinylsulfonyl)-1H-1,4-diazepine monohydrochloride, 133337-43-6

Molecular Formula: C14H18ClN3O2SMolecular Weight: 327.829620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: LFVPBERIVUNMGV-UHFFFAOYSA-N

• Ganciclovir
IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one | CAS Registry Number: 82410-32-0
Synonyms: ganciclovir, Cytovene, Vitrasert, Gancyclovir, Hydroxyacyclovir, Citovirax, Cymevene, DHPG, Cymevan, Cymeven, Virgan, HHEMG, Vitrasert (TN), Biolf 62, Cytovene (TN), Ganciclovirum [Latin], nchembio.87-comp3, Prestwick_1068, GANCICLOVIR SODIUM, 2'-Nor-2'-deoxyguanosine

Molecular Formula: C9H13N5O4Molecular Weight: 255.230620 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: IRSCQMHQWWYFCW-UHFFFAOYSA-N


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