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Substance Name: Bilirubin
RN: 635-65-4
UNII: RFM9X3LJ49
InChIKey: BPYKTIZUTYGOLE-IFADSCNNSA-N

Note

  • A bile pigment that is a degradation product of HEME.

Molecular Formula

  • C33-H36-N4-O6

Molecular Weight

  • 584.669
 

Classification Codes

  • Antioxidants
  • Drug / Therapeutic Agent
  • Mutation Data
  • Protective Agents
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Bilirubin

MeSH Heading

  • Bilirubin

Synonyms

  • 5-26-15-00523 (Beilstein Handbook Reference)
  • AI3-23078
  • Bilirubin
  • Bilirubin IX-alpha
  • BRN 0074376
  • CCRIS 9347
  • EINECS 211-239-7
  • Hematoidin
  • Hemetoidin
  • NSC 26685
  • Principal bile pigment
  • UNII-RFM9X3LJ49

Systematic 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-
  • Bilirubin

Registry Numbers

CAS Registry Number

  • 635-65-4

FDA UNII

  • RFM9X3LJ49

Other Registry Numbers

  • 1076199-07-9
  • 11053-42-2
  • 114-24-9
  • 19245-52-4
  • 39372-61-7
  • 493-86-7
  • 55527-40-7
  • 856927-39-4
  • 917-01-1

Related Registry Numbers

  • 18422-02-1 (calcium salt)
  • 93891-87-3 (di-hydrochloride salt)

System Generated Number

  • 0000635654

Structure Descriptors

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

BPYKTIZUTYGOLE-IFADSCNNSA-N

Smiles

CC1=C(C=C)\C(=C\c2[nH]c(Cc3[nH]c(\C=C\4/NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)\NC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg) GASTROINTESTINAL: OTHER CHANGES Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. Vol. (103), Pg. 29, 1985.
mouse LD50 oral > 15gm/kg (15000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. Vol. (103), Pg. 29, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.040 (none)   EST
Water Solubility 9 mg/L 25 EXP
Atmospheric OH Rate Constant 3.83E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.