3-carboxypropyl-(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)azanium,bromide
Names
[ CAS No. ]:
102688-90-4
[ Name ]:
3-carboxypropyl-(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)azanium,bromide
[Synonym ]:
(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
Chemical & Physical Properties
[ 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
Toxicological Information
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