Methyl 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazol-2- yl}butanoate

Names

[ CAS No. ]:
109882-25-9

[ Name ]:
Methyl 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazol-2- yl}butanoate

[Synonym ]:
Methylhydroxy-Celecoxib
PRIMARY ALCOHOL METABOLITE OF CELECOXIB
bendamustine methyl ester
4'-Hydroxycelecoxib
Hydroxy Celecoxib
Celecoxib metabolite M3

Chemical & Physical Properties

[ Molecular Formula ]:
C17H23Cl2N3O2

[ Molecular Weight ]:
372.28900

[ Exact Mass ]:
371.11700

[ PSA ]:
47.36000

[ LogP ]:
3.35300

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-(5-amino-1-methyl-1H-benzoimidazol-2-yl)butyric acid methyl ester hydrochloride
  • Chloroacetic acid
  • Methanol
  • Bendamustine Hydrochloride
  • Methyl 4-{5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazol-2 -yl}butanoate
  • 4-(2,4-dinitrophenylcarbamoyl)butyric acid methyl ester
  • 4-[(2,4-dinitrophenyl)methylcarbamoyl]butyric acid methyl ester
  • Methyl 5-chloro-5-oxopentanoate
  • 2,4-Dinitroaniline
  • diazomethane

DownStream

  • Bendamustine Hydrochloride

Related Compounds

  • L-IsoleucinaMide, N-Methyl-L-valyl-N-[(1S,2R)-4-[(2S)-2-[(1R,2R)-3-[[(1R,2S)-2-hydroxy-1-Methyl-2-phenylethyl]aMino]-1-Methoxy-2-Methyl-3-oxopropyl]-1-pyrrolidinyl]-2-Methoxy-1-[(1S)-1-Methylpropyl]-4-oxobutyl]-N-Methyl-(9CI)
  • 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)-
  • (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
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide