chempirical

Bilirubin

C33H36N4O6CAS 635-65-4584.67 g/mol

Open in Covalent MOL file
NHNHNHOOOHOOHNHO
AlkeneCarboxylic acid

Properties

Molecular formula
C33H36N4O6
Molar mass
584.67 g/mol
Exact mass
584.2635 Da
logP
6.21Crippen estimate
Polar surface area
171.4 Ų
H-bond donors / acceptors
6 / 4
Rotatable bonds
12
Double bonds
ZE/Z, in SMILES order

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
635-65-4
SMILES
C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)N=C1O
InChIKey
BPYKTIZUTYGOLE-IFADSCNNSA-N
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-

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 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 IXα
  • Cholerythrin
  • (Z,Z)-Bilirubin IXα
  • (Z,Z)-Bilirubin
  • (4Z,15Z)-Bilirubin IXα
  • NSC 26685

Work with Bilirubin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Orantinib252916-29-339 % similar 2-[(1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrole-3-propanoic acid215543-92-331 % similar Protoporphyrin IX553-12-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook