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Substance Name: Urobilin
RN: 1856-98-0
UNII: G0OTH73Y0M
InChIKey: KDCCOOGTVSRCHX-UYMYUHGCSA-N

Molecular Formula

  • C33-H42-N4-O6

Molecular Weight

  • 590.717
 
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Names and Synonyms

Name of Substance

  • Urobilin

MeSH Heading

  • Urobilin

Synonyms

  • EINECS 217-456-3
  • UNII-G0OTH73Y0M

Systematic Names

  • 21H-Biline-8,12-dipropanoic acid, 3,18-diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-
  • 3,18-Diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid

Registry Numbers

CAS Registry Number

  • 1856-98-0

FDA UNII

  • G0OTH73Y0M

Other Registry Numbers

  • 11000-05-8
  • 119-86-8
  • 12713-05-2
  • 17205-07-1
  • 2462-66-0

System Generated Number

  • 0001856980

Structure Descriptors

InChI

1S/C33H42N4O6/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/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b28-15-/t26-,27-/m0/s1

InChIKey

KDCCOOGTVSRCHX-UYMYUHGCSA-N

Smiles

c1(c(c(C)c([nH]1)C[C@H]1C(=C(C)C(N1)=O)CC)CCC(O)=O)\C=C1\C(=C(C)C(=N1)C[C@H]1C(=C(CC)C(N1)=O)C)CCC(O)=O