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Substance Name: Sarcochenodeoxycholic acid
RN: 88446-86-0
InChIKey: YZYBIGOLMMAZFK-USDKYCQXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H45-N-O5

Molecular Weight

  • 463.6545
 
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Names and Synonyms

Name of Substance

  • Sarcochenodeoxycholic acid

Synonyms

  • N-((3-alpha,5-beta,7-alpha)-3,7-Dihydroxy-24-oxocholan-24-yl)-N-methylglycine
  • Sarcochenodeoxycholic acid

Systematic Names

  • Glycine, N-((3-alpha,5-beta,7-alpha)-3,7-dihydroxy-24-oxocholan-24-yl)-N-methyl-
  • Glycine, N-((3alpha,5beta,7alpha)-3,7-dihydroxy-24-oxocholan-24-yl)-N-methyl-

Registry Numbers

CAS Registry Number

  • 88446-86-0

System Generated Number

  • 0088446860

Structure Descriptors

InChI

1S/C27H45NO5/c1-16(5-8-23(31)28(4)15-24(32)33)19-6-7-20-25-21(10-12-27(19,20)3)26(2)11-9-18(29)13-17(26)14-22(25)30/h16-22,25,29-30H,5-15H2,1-4H3,(H,32,33)/t16-,17+,18-,19-,20+,21+,22-,25+,26+,27-/m1/s1

InChIKey

YZYBIGOLMMAZFK-USDKYCQXSA-N

Smiles

C[C@H](CCC(=O)N(C)CC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3750mg/kg (3750mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 104, Pg. 466, 1984.