bilirubin

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Names

[ CAS No. ]:
635-65-4

[ Name ]:
bilirubin

[Synonym ]:
(4Z,15Z)-Bilirubin IXa
21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-
Bilirubin: 21H-Biline-8,12-dipropanoicacid,2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-,
Biliyubin
filirubin
Cholerythrin
EINECS 211-239-7
(Z,Z)-Bilirubin
3-{2-({3-(2-Carboxyethyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl}methyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid
1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-Biline-8,12-dipropionic acid
bilirubin
1,3,6,7-Tetramethyl-4,5-dicarboxyethyl-2,8-divinyl-(b-13)-dihydrobilenone
hemetoidin
(Z,Z)-Bilirubin IXa
Bilirubin IXa
MFCD00005499

Chemical & Physical Properties

[ Density]:
1.2163

[ Boiling Point ]:
641.7°C

[ Melting Point ]:
192 °C

[ Molecular Formula ]:
C33H36N4O6

[ Molecular Weight ]:
584.662

[ Flash Point ]:
478.1±37.1 °C

[ Exact Mass ]:
584.263489

[ PSA ]:
164.38000

[ LogP ]:
3.15

[ Vapour Pressure ]:
0.0±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.640

[ Storage condition ]:
−20°C

[ Stability ]:
Stable. Refrigerate.

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DU3038000
CHEMICAL NAME :
Biline-8,12-dipropionic acid, 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19 -dioxo- 3,18-divinyl-
CAS REGISTRY NUMBER :
635-65-4
BEILSTEIN REFERENCE NO. :
0074376
LAST UPDATED :
199701
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C33-H36-N4-O6
MOLECULAR WEIGHT :
584.73
WISWESSER LINE NOTATION :
T5VMYTJ D1 E1U1 CU1- ET5MYTJ C2VQ D1 BU1- ET5MYTJ C1 D2VQ BU1- ET5MVTJ C1 D1U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>15 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
ESKHA5 Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. (Kokuritsu Eisei Shikenjo Kagaku, 18-1 Bushitsu Johobu, Setagaya-ku, Tokyo 158, Japan) V.1- 1886- Volume(issue)/page/year: (103),29,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Gastrointestinal - other changes
REFERENCE :
ESKHA5 Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. (Kokuritsu Eisei Shikenjo Kagaku, 18-1 Bushitsu Johobu, Setagaya-ku, Tokyo 158, Japan) V.1- 1886- Volume(issue)/page/year: (103),29,1985 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
175 mg/kg
SEX/DURATION :
female 9-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
AJOGAH American Journal of Obstetrics and Gynecology. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63146) V.1- 1920- Volume(issue)/page/year: 127,497,1977
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
25 mg/kg
SEX/DURATION :
female 12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - other effects to embryo
REFERENCE :
AJOGAH American Journal of Obstetrics and Gynecology. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63146) V.1- 1920- Volume(issue)/page/year: 127,497,1977 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81726 No. of Facilities: 114 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 1390 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81726 No. of Facilities: 1176 (estimated) No. of Industries: 3 No. of Occupations: 7 No. of Employees: 12638 (estimated) No. of Female Employees: 9389 (estimated)

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
R62

[ Safety Phrases ]:
22-24/25-36-26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
DU3038000

[ HS Code ]:
29339990

Synthetic Route

Precursor & DownStream

Precursor

  • 18-devinyl-18-(1-methoxyethyl)bilirubin
  • Bilirubin dimethyl ester
  • 3,3'-[2-(1-mercapto-ethyl)-3,7,13,18-tetramethyl-1,19-dioxo-17-vinyl-1,10,19,22,23,24-hexahydro-21H-biline-8,12-diyl]-bis-propionic acid
  • 18-devinyl-18-[1-(acetylthio)ethyl]bilirubin
  • methyl 3-[2-[[5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoate
  • 2,17-bis-(2-chloroethyl)-21,24-dihydro-8,12-bis-(2-methoxycarbonylethyl)-3,7,13,18-tetramethylbilin-1,19-dione
  • Biliverdine
  • 18-Devinyl-18-(1-carboxymethylthio)ethyl-bilirubin-IXα

DownStream

  • 2,4-Dimethyl-3-pyrrolepropionic acid
  • 2,4-Dimethyl-3-ethyl-1H-pyrrole
  • Bilirubin dimethyl ester
  • 2-ethyl-3-methylmaleimide
  • 2,3-dimethyl-1H-pyrrole
  • xanthobilirubic acid
  • methyl 3-[2-[[5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoate
  • Biliverdine
  • (2E)-2-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)acetamide

Customs

[ HS Code ]: 29339990

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Related Compounds

  • bilirubin IIIα
  • bilirubin XIIIα
  • Oxidase bilirubin
  • Bilirubin disodium
  • bilirubin xyloside
  • bilirubin ditaurine
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 2-[(Azetidin-3-yloxy)methyl]pyridine-4-carbonitrile
  • 2-[(2,2-Difluoro-1-methylcyclopropyl)methyl]-2-methylbutanal
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine