页面 2 | WHO基本药物配体 - 小分子和化合物库

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甲硝唑
- ≥99.8%(HPLC)
CAS号 : 443-48-1 Compound CID : 4173

分子式: C₆H₉N₃O₃ 分子量: 171.15

IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol

SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]

InChIKey: VAOCPAMSLUNLGC-UHFFFAOYSA-N

InChI: InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
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甲硝唑
- ≥99%
CAS号 : 443-48-1 Compound CID : 4173

分子式: C₆H₉N₃O₃ 分子量: 171.15

IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol

SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]

InChIKey: VAOCPAMSLUNLGC-UHFFFAOYSA-N

InChI: InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
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甲基泼尼松龙标准溶液
- 100 ng/ul in Acetonitrile
CAS号 : 83-43-2 Compound CID : 6741

分子式: C₂₂H₃₀O₅ 分子量: 374.47

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

SMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O

InChIKey: VHRSUDSXCMQTMA-PJHHCJLFSA-N

InChI: InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
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米索前列醇
- ≥98%
CAS号 : 59122-46-2 Compound CID : 5282381

分子式: C₂₂H₃₈O₅ 分子量: 382.53

IUPAC Name: methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate

SMILES: CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O

InChIKey: OJLOPKGSLYJEMD-URPKTTJQSA-N

InChI: InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22?/m1/s1
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6-巯基嘌呤 (6-MP)
- ≥99%
CAS号 : 50-44-2 Compound CID : 667490

分子式: C₅H₄N₄S 分子量: 152.18

IUPAC Name: 3,7-dihydropurine-6-thione

SMILES: C1=NC2=C(N1)C(=S)N=CN2

InChIKey: GLVAUDGFNGKCSF-UHFFFAOYSA-N

InChI: InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
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呋喃妥因
CAS号 : 67-20-9 Compound CID : 6604200

分子式: C₈H₆N₄O₅ 分子量: 238.16

IUPAC Name: 1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione

SMILES: C1C(=O)NC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]

InChIKey: NXFQHRVNIOXGAQ-YCRREMRBSA-N

InChI: InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+
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氯硝柳胺
CAS号 : 50-65-7 Compound CID : 4477

分子式: C₁₃H₈Cl₂N₂O₄ 分子量: 327.12

IUPAC Name: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide

SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O

InChIKey: RJMUSRYZPJIFPJ-UHFFFAOYSA-N

InChI: InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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尼罗替尼 (AMN-107)
- ≥99%
CAS号 : 641571-10-0 Compound CID : 644241

分子式: C₂₈H₂₂F₃N₇O 分子量: 529.53

IUPAC Name: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChIKey: HHZIURLSWUIHRB-UHFFFAOYSA-N

InChI: InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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氯硝柳胺
- ≥98%
CAS号 : 50-65-7 Compound CID : 4477

分子式: C₁₃H₈Cl₂N₂O₄ 分子量: 327.12

IUPAC Name: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide

SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O

InChIKey: RJMUSRYZPJIFPJ-UHFFFAOYSA-N

InChI: InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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米替福新
- ≥98%
CAS号 : 58066-85-6 Compound CID : 3599

分子式: C₂₁H₄₆NO₄P 分子量: 407.568

IUPAC Name: hexadecyl 2-(trimethylazaniumyl)ethyl phosphate

SMILES: CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C

InChIKey: PQLXHQMOHUQAKB-UHFFFAOYSA-N

InChI: InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3
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氧氟沙星
- ≥99%(HPLC)
CAS号 : 82419-36-1 Compound CID : 4583

分子式: C₁₈H₂₀FN₃O₄ 分子量: 361.37

IUPAC Name: 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

SMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O

InChIKey: GSDSWSVVBLHKDQ-UHFFFAOYSA-N

InChI: InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
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奥司他韦
- ≥98%
CAS号 : 196618-13-0 Compound CID : 65028

分子式: C₁₆H₂₈N₂O₄ 分子量: 312.4

IUPAC Name: ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate

SMILES: CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC

InChIKey: VSZGPKBBMSAYNT-RRFJBIMHSA-N

InChI: InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1
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