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Substance Name: Cholylhistamine
RN: 35179-35-2
InChIKey: RZLDSBTXXJRIRU-OLVWRROUSA-N

Molecular Weight

  • 501.707
 
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Names and Synonyms

Name of Substance

  • Cholylhistamine

Systematic Name

  • Cholestan-24-amide, 3,7,12-trihydroxy-N-(2-(1H-imidazol-5-yl)ethyl)-, (3alpha,7alpha,12alpha)-

Registry Numbers

CAS Registry Number

  • 35179-35-2

System Generated Number

  • 0035179352

Structure Descriptors

InChI

1S/C29H47N3O4/c1-17(4-7-26(36)31-11-9-19-15-30-16-32-19)21-5-6-22-27-23(14-25(35)29(21,22)3)28(2)10-8-20(33)12-18(28)13-24(27)34/h15-18,20-25,27,33-35H,4-14H2,1-3H3,(H,30,32)(H,31,36)/t17-,18+,20-,21-,22+,23+,24-,25+,27+,28+,29-/m1/s1

InChIKey

RZLDSBTXXJRIRU-OLVWRROUSA-N

Smiles

C1[C@H](C[C@H]2C[C@H]([C@H]3[C@@H]4CC[C@@H]([C@@H](CCC(=O)NCCc5nc[nH]c5)C)[C@@]4(C)[C@H](C[C@H]3[C@@]2(C1)C)O)O)O