CAS Registry Number®
635-65-4
CAS Name
Bilirubin
Molecular Formula
C33H36N4O6
Molecular Mass
584.66
Other Names and Identifiers
InChI
InChI=1S/C33H36N4O6/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/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-
InChIKey
InChIKey=BPYKTIZUTYGOLE-IFADSCNNSA-N
SMILES
C(C1=C(CCC(O)=O)C(C)=C(/C=C\2/C(C=C)=C(C)C(=O)N2)N1)C3=C(CCC(O)=O)C(C)=C(/C=C\4/C(C)=C(C=C)C(=O)N4)N3
Canonical SMILES
O=C(O)CCC1=C(NC(C=C2NC(=O)C(=C2C=C)C)=C1C)CC=3NC(C=C4NC(=O)C(C=C)=C4C)=C(C3CCC(=O)O)C
Other Names for this Substance
- 21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-
- Biline-8,12-dipropionic acid, 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-
- Hematoidin
- 2,17-Diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid
- Bilirubin
- Bilirubin IXα
- Cholerythrin
- (Z,Z)-Bilirubin IXα
- (Z,Z)-Bilirubin
- (4Z,15Z)-Bilirubin IXα
- NSC 26685
- MeSH ID: D001663
Deleted or Replaced CAS Registry Numbers
114-24-9, 493-86-7, 917-01-1, 11053-42-2, 19245-52-4, 39372-61-7, 55527-40-7, 856927-39-4, 1076199-07-9
