Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Methyl chenodoxycholate
RN: 3057-04-3
UNII: 48O35JP4YI
InChIKey: GRQROVWZGGDYSW-DPOIOJAGSA-N

Molecular Formula

  • C25-H42-O4

Molecular Weight

  • 406.603
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Methyl chenodoxycholate

Name of Substance

  • Methyl chenodeoxycholate

Synonyms

  • Methyl chenodoxycholate
  • UNII-48O35JP4YI

Systematic Name

  • Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3alpha,5beta,7alpha)-

Registry Numbers

CAS Registry Number

  • 3057-04-3

FDA UNII

  • 48O35JP4YI

System Generated Number

  • 0003057043

Structure Descriptors

InChI

1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17?,18-,19+,20+,21-,23+,24+,25-/m1/s1

InChIKey

GRQROVWZGGDYSW-DPOIOJAGSA-N

Smiles

C1[C@@]2([C@H](CC[C@H]2[C@@H]2[C@@H](C[C@H]3[C@@](CC[C@@H](O)C3)(C)[C@@H]2C1)O)[C@@H](CCC(=O)OC)C)C