1-tert-butyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole,hydrochloride

Names

[ CAS No. ]:
102612-96-4

[ Name ]:
1-tert-butyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole,hydrochloride

[Synonym ]:
Thiazolo(3,2-a)benzimidazole,4a,5,6,7,8,8a-hexahydro-3-(1,1-dimethylethyl)-,HCl,trans
trans-3-(tert-Butyl)-4a,5,6,7,8,8a-hexahydrothiazolo(3,2-a)benzimidazole hydrochloride
Thiazolo(3,2-a)benzimidazole,4a,5,6,7,8,8a-hexahydro-3-(tert-butyl)-,hydrochloride,(E)

Chemical & Physical Properties

[ Molecular Formula ]:
C13H21ClN2S

[ Molecular Weight ]:
272.83700

[ Exact Mass ]:
272.11100

[ PSA ]:
45.53000

[ LogP ]:
3.48270

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ7050350
CHEMICAL NAME :
Thiazolo(3,2-a)benzimidazole, 4a,5,6,7,8,8a-hexahydro-3-(tert-butyl)-, hydrochloride, (E)-
CAS REGISTRY NUMBER :
102612-96-4
LAST UPDATED :
199706
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H20-N2-S.Cl-H
MOLECULAR WEIGHT :
272.87
WISWESSER LINE NOTATION :
T B556 BN ES GN FU&TTJ CX1&1&1 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 24,604,1981

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-(2,4-Difluorophenyl)-1-(3-(pyridin-4-yloxy)pyrrolidin-1-yl)ethanone
  • 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