2H-Pyrazolo(3,4-c)(2,1)benzothiazepin-4(9H)-one, 2,9-dimethyl-, O-(2-( 1-pyrrolidinyl)ethyl)oxime, 10,10-dioxide, (Z)-2-butenedioate (1:1)

Modify Date: 2024-02-24 09:21:29

2H-Pyrazolo(3,4-c)(2,1)benzothiazepin-4(9H)-one, 2,9-dimethyl-, O-(2-( 1-pyrrolidinyl)ethyl)oxime, 10,10-dioxide, (Z)-2-butenedioate (1:1) Structure
2H-Pyrazolo(3,4-c)(2,1)benzothiazepin-4(9H)-one, 2,9-dimethyl-, O-(2-( 1-pyrrolidinyl)ethyl)oxime, 10,10-dioxide, (Z)-2-butenedioate (1:1) structure
Common Name 2H-Pyrazolo(3,4-c)(2,1)benzothiazepin-4(9H)-one, 2,9-dimethyl-, O-(2-( 1-pyrrolidinyl)ethyl)oxime, 10,10-dioxide, (Z)-2-butenedioate (1:1)
CAS Number 181145-48-2 Molecular Weight 505.54400
Density N/A Boiling Point 568.7ºC at 760mmHg
Molecular Formula C22H27N5O7S Melting Point N/A
MSDS N/A Flash Point 297.7ºC

 Names

Name (E)-but-2-enedioic acid,(E)-2,5-dimethyl-4,4-dioxo-N-(2-pyrrolidin-1-ylethoxy)pyrazolo[3,4-c][2,1]benzothiazepin-10-imine

 Chemical & Physical Properties

Boiling Point 568.7ºC at 760mmHg
Molecular Formula C22H27N5O7S
Molecular Weight 505.54400
Flash Point 297.7ºC
Exact Mass 505.16300
PSA 163.01000
LogP 2.21890
Vapour Pressure 6.02E-13mmHg at 25°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ9829820
CAS REGISTRY NUMBER :
181145-48-2
LAST UPDATED :
199806
DATA ITEMS CITED :
1

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 :
700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARPMAS Archiv der Pharmazie (Weinheim, Germany) (VCH Pub., Inc., 303 NW 12th Ave., Deerfield Beach, FL 33441) V.51-261, 1835-1923; V.305- 1972- Volume(issue)/page/year: 329,352,1996