102585-97-7

102585-97-7 structure

102585-97-7 structure

Name: 4-amino-N-(1-cyclohexylpyrrolidin-1-ium-3-yl)-N-methylbenzamide,(E)-4-hydroxy-4-oxobut-2-enoate
Chemical Name: 4-amino-N-(1-cyclohexylpyrrolidin-1-ium-3-yl)-N-methylbenzamide,(E)-4-hydroxy-4-oxobut-2-enoate
CAS Number: 102585-97-7
Molecular Formula: C₂₂H₃₁N₃O₅
Molecular Weight: 417.49900
Create Date: 2016-10-06 20:50:33
Modify Date: 2024-09-15 19:02:02

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

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

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