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102688-90-4

102688-90-4 structure

102688-90-4 structure

Name: 3-carboxypropyl-(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)azanium,bromide
Chemical Name: 3-carboxypropyl-(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)azanium,bromide
CAS Number: 102688-90-4
Molecular Formula: C₁₇H₂₃BrN₄O₃S
Molecular Weight: 443.35900
Create Date: 2017-02-01 17:46:13
Modify Date: 2025-09-25 12:15:07

Name	3-carboxypropyl-(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)azanium,bromide
Synonyms	(4-hydroxy-4-oxobutyl)-(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)azanium bromide n-(3-carboxypropyl)-4-methoxy-7,7-dimethyl-7,8-dihydro-6h-pyrimido[4,5-b][1,4]benzothiazin-9-aminium bromide Butanoic acid,4-((7,8-dihydro-7,7-dimethyl-4-methoxy-6H-pyrimido(4,5-b)(1,4)benzothiazin-9-yl)amino)-,monohydrobromide

Boiling Point	571.4ºC at 760mmHg
Molecular Formula	C₁₇H₂₃BrN₄O₃S
Molecular Weight	443.35900
Flash Point	299.4ºC
Exact Mass	442.06700
PSA	122.00000
LogP	3.93400
Vapour Pressure	6.77E-14mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EK7786000

CHEMICAL NAME :: Butanoic acid, 4-((7,8-dihydro-7,7-dimethyl-4-methoxy-6H-pyrimido(4, 5-b)(1,4)benzothiazin -9- yl)amino)-, monohydrobromide

CAS REGISTRY NUMBER :: 102688-90-4

LAST UPDATED :: 198909

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H22-N4-O3-S.Br-H

MOLECULAR WEIGHT :: 443.41

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 380 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) 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: 19,459,1985

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