111900-25-5 (Ciprofibrate-CoA,Coenzyme A, S-[2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoate] (9CI))

快速询单

结构式：

Ciprofibrate-CoAMOL文件

CAS号：

111900-25-5

中文名称：

Ciprofibrate-CoA

英文名称：

Coenzyme A, S-[2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoate] (9CI)

分子式：

C₃₄H₄₈Cl₂N₇O₁₈P₃S

分子量：

1038.6733083725

Ciprofibrate-CoA(111900-25-5)名称与标识符

名称

英文别名：

Coenzyme A,S-[2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoate] (9CI);ciprofibrate-coenzyme A;Ciprofibrate-coa;Coenzyme A, ciprofibrate-;Coenzyme A, S-(2-(4-(2,2-dichlorocyclopropyl)phenoxy)-2-methylpropanoate);S-{1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanethioate (non-prefer;S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanethioate;Ciprofibrate-CoA; (Acyl-CoA); [M+H]+;;DTXSID501347973;D0S8LJ;111900-25-5;

标识符

InChIKey：

AAHIMGZVACZGCQ-NKXYKTLRSA-N

Inchi：

1S/C34H48Cl2N7O18P3S/c1-32(2,26(46)29(47)39-10-9-22(44)38-11-12-65-31(48)33(3,4)59-19-7-5-18(6-8-19)20-13-34(20,35)36)15-57-64(54,55)61-63(52,53)56-14-21-25(60-62(49,50)51)24(45)30(58-21)43-17-42-23-27(37)40-16-41-28(23)43/h5-8,16-17,20-21,24-26,30,45-46H,9-15H2,1-4H3,(H,38,44)(H,39,47)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t20?,21-,24-,25-,26?,30-/m1/s1

SMILES：

ClC1(CC1C1C=CC(=CC=1)OC(C(=O)SCCNC(CCNC(C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)OP(=O)(O)O)O)=O)=O)(C)C)Cl