WHO基本药物配体 - 小分子和化合物库

InChI: 1S/C16H19N3O4S.Na/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1/t9-,10-,11+,14-;/m1./s1

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尿素

规格或纯度 :

≥99%

CAS号: 57-13-6 EC号: 200-315-5 Compound CID : 1176

分子式: H₂NCONH₂ 分子量: 60.06

IUPAC Name: urea

SMILES: C(=O)(N)N

InChIKey: XSQUKJJJFZCRTK-UHFFFAOYSA-N

InChI: 1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)

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氯霉素

规格或纯度 :

PharmPure™

USP

CAS号: 56-75-7 EC号: 200-287-4

分子式: C₁₁H₁₂Cl₂N₂O₅ 分子量: 323.13

IUPAC Name: 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide

SMILES: C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]

InChIKey: WIIZWVCIJKGZOK-RKDXNWHRSA-N

InChI: 1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1

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叶酸

规格或纯度 :

PharmPure™

USP

CAS号: 59-30-3

分子式: C₁₉H₁₉N₇O₆ 分子量: 441.4

IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid

SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N

InChIKey: OVBPIULPVIDEAO-LBPRGKRZSA-N

InChI: 1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1

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万古霉素

规格或纯度 :

PharmPure™

USP

≥950μg/mg

CAS号: 1404-90-6 Compound CID : 14969

分子式: C₆₆H₇₅Cl₂N₉O₂₄ 分子量: 1449.25

IUPAC Name: (1S,2R,18R,19R,22S,25R,28R,40S)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,1See more

SMILES: CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)See more

InChIKey: MYPYJXKWCTUITO-LYRMYLQWSA-N

InChI: 1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)See more

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依诺肝素钠

规格或纯度 :

PharmPure™

USP

CAS号: 679809-58-6 Compound CID : 72679307

IUPAC Name: tetrasodium;2-[5-acetamido-6-[4-[5-acetamido-6-[2-carboxylato-4,5-dihydroxy-6-[[3-hydroxy-4-(sulfonatoamino)-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]oxan-3-yl]oxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxySee more

SMILES: CC1C(C(OC(C1OC2CC(C(C(C2O)O)OC3C(C(C(C(O3)COS(=O)(=O)O)OC4C(C(C=C(O4)C(=O)[O-])O)O)O)NC(=O)C)C(=O)[O-])CO)OC5C(C(C(OC5C(=O)[O-])OC6C7COC(O7)C(C6O)NS(=O)(=O)[O-])O)O)NC(=O)C.[Na+].[Na+].[Na+].[Na+]

InChIKey: CIJQTPFWFXOSEO-UHFFFAOYSA-J

InChI: 1S/C42H63N3O35S2.4Na/c1-9-19(43-10(2)47)39(79-33-27(55)28(56)42(80-34(33)37(61)62)78-31-17-7-69-38(74-17)21(25(31)53)45-81(63,64)65)73-16(6-46)29(9)71-14-4-12(35(57)58)30(26(54)23(14)51)76-40-20(44-11See more

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(−)-核黄素

规格或纯度 :

PharmPure™

USP

CAS号: 83-88-5 EC号: 201-507-1 Compound CID : 493570

分子式: C₁₇H₂₀N₄O₆ 分子量: 376.36

IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione

SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O

InChIKey: AUNGANRZJHBGPY-SCRDCRAPSA-N

InChI: 1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1

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尿素

规格或纯度 :

crystalline

CAS号: 57-13-6 EC号: 200-315-5 Compound CID : 1176

分子式: H₂NCONH₂ 分子量: 60.06

IUPAC Name: urea

SMILES: C(=O)(N)N

InChIKey: XSQUKJJJFZCRTK-UHFFFAOYSA-N

InChI: 1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)

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氟尿嘧啶

规格或纯度 :

PharmPure™

USP

CAS号: 51-21-8 EC号: 200-085-6

分子式: C₄H₃FN₂O₂ 分子量: 130.08

IUPAC Name: 5-fluoro-1H-pyrimidine-2,4-dione

SMILES: C1=C(C(=O)NC(=O)N1)F

InChIKey: GHASVSINZRGABV-UHFFFAOYSA-N

InChI: 1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)

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胆钙化醇

规格或纯度 :

PharmPure™

USP

CAS号: 67-97-0 EC号: 200-673-2

分子式: C₂₇H₄₄O 分子量: 384.64

IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

SMILES: CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

InChIKey: QYSXJUFSXHHAJI-YRZJJWOYSA-N

InChI: 1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1

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