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

Modify Date: 2025-09-28 23:06:49

2H-Pyrazolo(3,4-c)(2,1)benzothiazepin-4(9H)-one, 9-dimethyl-, O-(2-(di methylamino)ethyl)oxime,10,10-dioxide, (Z)-2-butenedioate (1:1) structure	Common Name	2H-Pyrazolo(3,4-c)(2,1)benzothiazepin-4(9H)-one, 9-dimethyl-, O-(2-(di methylamino)ethyl)oxime,10,10-dioxide, (Z)-2-butenedioate (1:1)
	CAS Number	181145-46-0	Molecular Weight	479.50700
	Density	N/A	Boiling Point	521.4ºC at 760mmHg
	Molecular Formula	C₂₀H₂₅N₅O₇S	Melting Point	N/A
	MSDS	N/A	Flash Point	269.1ºC

Name	(E)-but-2-enedioic acid,2-[(E)-(2,5-dimethyl-4,4-dioxopyrazolo[3,4-c][2,1]benzothiazepin-10-ylidene)amino]oxy-N,N-dimethylethanamine

Boiling Point	521.4ºC at 760mmHg
Molecular Formula	C₂₀H₂₅N₅O₇S
Molecular Weight	479.50700
Flash Point	269.1ºC
Exact Mass	479.14700
PSA	163.01000
LogP	1.74680
Vapour Pressure	5.69E-11mmHg at 25°C
InChIKey	LWSSFLKRWAEYNY-FVEGSWOLSA-N
SMILES	CN(C)CCON=C1c2ccccc2N(C)S(=O)(=O)c2nn(C)cc21.O=C(O)C=CC(=O)O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UQ9827780

CAS REGISTRY NUMBER :: 181145-46-0

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

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