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Substance Name: 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate
RN: 15676-25-2
InChIKey: ORKRIQNIYZTVFP-OYYJYTPZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H48-O5

Molecular Weight

  • 476.693
 
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Names and Synonyms

Synonyms

  • 3-06-00-06424 (Beilstein Handbook Reference)
  • BRN 3178119

Systematic Name

  • 5-alpha-Cholestane-3-beta,5,6-beta-triol, 3,6-diformate

Registry Numbers

CAS Registry Number

  • 15676-25-2

System Generated Number

  • 0015676252

Structure Descriptors

InChI

1S/C29H48O5/c1-19(2)7-6-8-20(3)23-9-10-24-22-15-26(34-18-31)29(32)16-21(33-17-30)11-14-28(29,5)25(22)12-13-27(23,24)4/h17-26,32H,6-16H2,1-5H3/t20-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1

InChIKey

ORKRIQNIYZTVFP-OYYJYTPZSA-N

Smiles

C1[C@@H](C[C@@]2([C@@H](C[C@H]3[C@@H]4CC[C@@H]([C@@H](CCCC(C)C)C)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)OC=O)O)OC=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 5gm/kg (5000mg/kg)   Japanese Journal of Pharmacology. Vol. 17, Pg. 340, 1967.
mouse LD50 intraperitoneal 110mg/kg (110mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: MUSCLE WEAKNESS
Japanese Journal of Pharmacology. Vol. 17, Pg. 340, 1967.