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Substance Name: N,N-Bis(3-(D-gluconamido)propyl)cholamide
RN: 86303-22-2
UNII: 7MI8P70R4A
InChIKey: ZWEVPYNPHSPIFU-AUGHYPCGSA-N

Molecular Formula

  • C42-H75-N3-O16

Molecular Weight

  • 878.0595
 
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Names and Synonyms

Name of Substance

  • N,N-Bis(3-(D-gluconamido)propyl)cholamide

Synonyms

  • (3alpha,5beta,7alpha,12alpha)-N,N-Bis(3-(D-gluconoylamino)propyl)-3,7,12-trihydroxycholan-24-amide
  • Bigchap
  • Bigchap [MI]
  • Cholan-24-amide, N,N-bis(3-(D-gluconoylamino)propyl)-3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)-
  • N,N-Bis(3-(D-gluconamido)propyl)cholamide
  • UNII-7MI8P70R4A

Registry Numbers

CAS Registry Number

  • 86303-22-2

FDA UNII

  • 7MI8P70R4A

System Generated Number

  • 0086303222

Structure Descriptors

InChI

1S/C42H75N3O16/c1-21(24-7-8-25-32-26(18-30(52)42(24,25)3)41(2)11-10-23(48)16-22(41)17-27(32)49)6-9-31(53)45(14-4-12-43-39(60)37(58)35(56)33(54)28(50)19-46)15-5-13-44-40(61)38(59)36(57)34(55)29(51)20-47/h21-30,32-38,46-52,54-59H,4-20H2,1-3H3,(H,43,60)(H,44,61)/t21-,22+,23-,24-,25+,26+,27-,28-,29-,30+,32+,33-,34-,35+,36+,37-,38-,41+,42-/m1/s1

InChIKey

ZWEVPYNPHSPIFU-AUGHYPCGSA-N

Smiles

C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[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