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117094-35-6

117094-35-6 structure

117094-35-6 structure

Name: 1-[2-(1-phenyltetrazol-5-yl)sulfanyl-3-piperidin-1-ylpropyl]pyrrolidin-2-one,hydrochloride
Chemical Name: 1-[2-(1-phenyltetrazol-5-yl)sulfanyl-3-piperidin-1-ylpropyl]pyrrolidin-2-one,hydrochloride
CAS Number: 117094-35-6
Molecular Formula: C₁₉H₂₇ClN₆OS
Molecular Weight: 422.97500
Create Date: 2016-02-01 22:54:42
Modify Date: 2025-08-25 23:02:53

Name	1-[2-(1-phenyltetrazol-5-yl)sulfanyl-3-piperidin-1-ylpropyl]pyrrolidin-2-one,hydrochloride

Boiling Point	623.6ºC at 760mmHg
Molecular Formula	C₁₉H₂₇ClN₆OS
Molecular Weight	422.97500
Flash Point	330.9ºC
Exact Mass	422.16600
PSA	92.45000
LogP	2.90910
Vapour Pressure	1.81E-15mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UY5926000

CHEMICAL NAME :: 2-Pyrrolidinone, 1-(2-((1-phenyl-1H-tetrazol-5-yl)thio)-3-(1-piperidin yl)propyl)-, monohydrochloride

CAS REGISTRY NUMBER :: 117094-35-6

LAST UPDATED :: 198909

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C19-H26-N6-O-S.Cl-H

MOLECULAR WEIGHT :: 423.03

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 :: 252 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 22,563,1988

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