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Substance Name: Acebrochol [INN:DCF]
RN: 514-50-1
UNII: 7XZB016MY5
InChIKey: ISLUIHYFJMYECW-BSMCXZHXSA-N

Classification Code

  • Sedative

Molecular Formula

  • C29-H48-Br2-O2

Molecular Weight

  • 588.5042
 
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Names and Synonyms

Name of Substance

  • Acebrochol [INN:DCF]

Synonyms

  • 5,6-beta-Dibromo-5alpha-cholestan-3beta-ol acetate
  • 5,6beta-Dibrom-5alpha-cholestan-3beta-ylacetat
  • 5,6beta-Dibromo-5alpha-cholestan-3beta-ol acetate
  • 5alpha,6beta-Dibromdihydrocholesterinacetat
  • Acebrochol
  • Acebrocholum
  • Acebrocol
  • UNII-7XZB016MY5

Registry Numbers

CAS Registry Number

  • 514-50-1

FDA UNII

  • 7XZB016MY5

System Generated Number

  • 0000514501

Structure Descriptors

InChI

1S/C29H48Br2O2/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(30)29(31)17-21(33-20(4)32)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1

InChIKey

ISLUIHYFJMYECW-BSMCXZHXSA-N

Smiles

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)OC(=O)C)C)Br)Br)C