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Substance Name: Cholestan-3-ol, dihydrogen phosphate, disodium salt, (3-alpha,5-alpha)-
RN: 65242-49-1
InChIKey: CFEVYPBLBIYMOZ-CUTGYCSOSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H49-O4-P.2Na

Molecular Weight

  • 490.6362
 
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Names and Synonyms

Synonym

  • Epicholestanol phosphate, sodium salt

Systematic Name

  • Cholestan-3-ol, dihydrogen phosphate, disodium salt, (3-alpha,5-alpha)-

Registry Numbers

CAS Registry Number

  • 65242-49-1

System Generated Number

  • 0065242491

Molecular Formulas

Molecular Formula

  • C27-H49-O4-P.2Na

Molecular Formula Fragments

  • C27-H49-O4-P
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H49O4P.Na/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5;/h18-25H,6-17H2,1-5H3,(H2,28,29,30);/q;+1/p-1/t19-,20+,21-,22+,23-,24+,25+,26+,27-;/m1./s1

InChIKey

CFEVYPBLBIYMOZ-CUTGYCSOSA-M

Smiles

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)OP(=O)(O)[O-])C)C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 10gm/kg (10000mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #78-133639,