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Substance Name: N-(2-Aminoethyl)-3,7,12-trihydroxycholan-24-amide
RN: 78793-09-6
InChIKey: KEMCGGSAAWVSIG-HZAMXZRMSA-N

Molecular Weight

  • 450.6594
 
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Names and Synonyms

Name of Substance

  • N-(2-Aminoethyl)-3,7,12-trihydroxycholan-24-amide

Synonyms

  • N-(2-Aminoethyl)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-amide
  • Nae-3,7,12-thca

Systematic Name

  • Cholan-24-amide, N-(2-aminoethyl)-3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)-

Registry Numbers

CAS Registry Number

  • 78793-09-6

System Generated Number

  • 0078793096

Structure Descriptors

InChI

1S/C26H46N2O4/c1-15(4-7-23(32)28-11-10-27)18-5-6-19-24-20(14-22(31)26(18,19)3)25(2)9-8-17(29)12-16(25)13-21(24)30/h15-22,24,29-31H,4-14,27H2,1-3H3,(H,28,32)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1

InChIKey

KEMCGGSAAWVSIG-HZAMXZRMSA-N

Smiles

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