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Substance Name: Stercobilinogen
RN: 17095-63-5
UNII: 91VQJ22OZ5
InChIKey: VKGRRZVYCXLHII-OLFWPHQKSA-N

Note

  • Precursor of stercobilin.

Molecular Formula

  • C33-H48-N4-O6

Molecular Weight

  • 596.7642
 
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Names and Synonyms

Name of Substance

  • Stercobilinogen

Synonym

  • UNII-91VQJ22OZ5

Systematic Name

  • 21H-Biline-8,12-dipropanoic acid, 2,17-diethyl-1,2,3,4,5,10,15,16,17,18,19,22,23,24-tetradecahydro-3,7,13,18-tetramethyl-1,19-dioxo-, (2R,3R,4S,16S,17R,18R)-

Registry Numbers

CAS Registry Number

  • 17095-63-5

FDA UNII

  • 91VQJ22OZ5

System Generated Number

  • 0017095635

Structure Descriptors

InChI

1S/C33H48N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h16,19-21,26-27,34-35H,7-15H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/t16-,19-,20-,21-,26+,27+/m1/s1

InChIKey

VKGRRZVYCXLHII-OLFWPHQKSA-N

Smiles

CC[C@@H]1[C@@H](C)C(=O)N[C@H]1Cc2[nH]c(Cc3[nH]c(C[C@@H]4NC(=O)[C@H](CC)[C@H]4C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C