4-amino-N-(1-cyclohexylpyrrolidin-1-ium-3-yl)-N-methylbenzamide,(E)-4-hydroxy-4-oxobut-2-enoate

Names

[ CAS No. ]:
102585-97-7

[ Name ]:
4-amino-N-(1-cyclohexylpyrrolidin-1-ium-3-yl)-N-methylbenzamide,(E)-4-hydroxy-4-oxobut-2-enoate

[Synonym ]:
p-Amino-N-(1-cyclohexyl-3-pyrrolidinyl)-N-methylbenzamide fumarate
AHR-5645 B
Fumarate d'amino-4 N-(cyclohexyl-1-pyrrolidinyl-3) N-methyl benzamide
4-Amino-N-(1-cyclohexyl-3-pyrrolidinyl)-N-methylbenzamide fumarate
BENZAMIDE,p-AMINO-N-(1-CYCLOHEXYL-3-PYRROLIDINYL)-N-METHYL-,FUMARATE
4-amino-N-(1-cyclohexylpyrrolidin-1-ium-3-yl)-N-methylbenzamide

Chemical & Physical Properties

[ Molecular Formula ]:
C22H31N3O5

[ Molecular Weight ]:
417.49900

[ Exact Mass ]:
417.22600

[ PSA ]:
124.17000

[ LogP ]:
2.97870

[ Vapour Pressure ]:
8.47E-10mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CU9460000
CHEMICAL NAME :
Benzamide, p-amino-N-(1-cyclohexyl-3-pyrrolidinyl)-N-methyl-, fumarate
CAS REGISTRY NUMBER :
102585-97-7
LAST UPDATED :
199109
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C18-H27-N3-O.C4-H4-O4
MOLECULAR WEIGHT :
417.56
WISWESSER LINE NOTATION :
T5NTJ CN1&VR DZ& A- AL6TJ &QV1U1VQ

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 :
450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 32,121,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
208 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 32,121,1977

Related Compounds

  • 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
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine