2-Benzofurancarboxamide,N-[2-[[(1S)-1-(chloromethyl)-1,6-dihydro-8-methyl-5-[[(phenylamino)carbonyl]oxy]benzo[1,2-b:4,3-b']dipyrrol-3(2H)-yl]carbonyl]-1H-indol-5-yl]-6-(diethylamino)-

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Names

[ CAS No. ]:
119813-10-4

[ Name ]:
2-Benzofurancarboxamide,N-[2-[[(1S)-1-(chloromethyl)-1,6-dihydro-8-methyl-5-[[(phenylamino)carbonyl]oxy]benzo[1,2-b:4,3-b']dipyrrol-3(2H)-yl]carbonyl]-1H-indol-5-yl]-6-(diethylamino)-

[Synonym ]:
Carzelesin
Carzelesin (USAN/INN)

Chemical & Physical Properties

[ Density]:
1.426g/cm3

[ Boiling Point ]:
938.9ºC at 760mmHg

[ Molecular Formula ]:
C41H37ClN6O5

[ Molecular Weight ]:
729.22300

[ Flash Point ]:
521.6ºC

[ Exact Mass ]:
728.25100

[ PSA ]:
135.70000

[ LogP ]:
9.60700

[ Index of Refraction ]:
1.762

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF6473200
CAS REGISTRY NUMBER :
119813-10-4
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C41-H37-Cl-N6-O5
MOLECULAR WEIGHT :
729.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD10 - Lethal Dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
40 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 21,245,1996
TYPE OF TEST :
LD10 - Lethal Dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
280 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 21,245,1996

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Phenylisocyanate
  • (S)-1,6-dihydro-1-(hydroxymethyl)-8-methyl-5-(phenylmethoxy)-benzo[1,2-b:4,3-b']dipyrrole-3(2H)-carboxylic acid 1,1-dimethylethyl ester
  • (S)-1-(chloromethyl)-1,6-dihydro-8-methyl-5-(phenylmethoxy)-benzo[1,2-b:4,3-b']dipyrrole-3(2H)-carboxylic acid 1,1-dimethylethyl ester
  • (S)-6-tert-butyl 1-methyl 8-(acetoxymethyl)-4-(benzyloxy)-7,8-dihydropyrrolo[3,2-e]indole-1,6(3H)-dicarboxylate
  • (1S)-3-[(tert-butyloxy)carbonyl]-1-(chloromethyl)-5-hydroxy-8-methyl-1,2-dihydro-3H-pyrrolo[3,2-e]indole
  • (S)-1-(chloromethyl)-1,6-dihydro-5-hydroxy-8-methylbenzo[1,2-b:4,3-b']dipyrrole hydrochloride

DownStream

Related Compounds

  • 4-Phenylmethoxythiophene-2-carbaldehyde
  • 2H-3,1-Benzoxazine-2,4(1H)-dione, 8-bromo-5-methyl-
  • 2H-Indol-2-one, 1,3-dihydro-5-[(1S)-1-hydroxyethyl]-3,3-dimethyl-
  • (1R)-1-(6-bromopyridin-3-yl)-2,2,2-trifluoroethan-1-ol
  • 4-[[(3,4-Dimethoxyphenyl)methyl]amino]-2-hydroxybenzoic acid
  • (2-(((3-Fluorophenyl)thio)methyl)phenyl)boronic acid
  • (1S,3S)-ethyl 3-hydroxycyclopentanecarboxylate
  • Methyl 2-(isoquinolin-7-yl)acetate
  • 2-(5-Methylthiophen-2-yl)but-3-yn-2-ol
  • 1,2-Ethanedisulfonic acid hydrate
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