WHO基本药物配体 - 小分子和化合物库

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苯妥英标准溶液
- 1000μg/ml,in Purge and Trap Methanol
CAS号: 57-41-0

分子式: C₁₅H₁₂N₂O₂ 分子量: 252.27

IUPAC Name: 5,5-diphenylimidazolidine-2,4-dione

SMILES: C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3

InChIKey: CXOFVDLJLONNDW-UHFFFAOYSA-N

InChI: 1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
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阿米替林
- ≥98%
CAS号: 50-48-6

分子式: C₂₀H₂₃N 分子量: 277.41

IUPAC Name: N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine

SMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31

InChIKey: KRMDCWKBEZIMAB-UHFFFAOYSA-N

InChI: 1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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甲羟孕酮
- 10mM in DMSO
CAS号: 520-85-4

分子式: C₂₂H₃₂O₃ 分子量: 344.5

IUPAC Name: (6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

SMILES: CC1CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4(C1=CC(=O)CC4)C

InChIKey: FRQMUZJSZHZSGN-HBNHAYAOSA-N

InChI: 1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1
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布地奈德
- ≥98%
CAS号: 51333-22-3

分子式: C₂₅H₃₄O₆ 分子量: 430.53

IUPAC Name: (1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one

SMILES: CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C

InChIKey: VOVIALXJUBGFJZ-KWVAZRHASA-N

InChI: 1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1
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