3-[(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)amino]propanoic acid,hydrobromide
Names
[ CAS No. ]:
102688-89-1
[ Name ]:
3-[(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)amino]propanoic acid,hydrobromide
[Synonym ]:
3-(4-Methoxy-6,6-dimethyl-6,7-dihydro-5H-9-thia-1,3,10-triaza-anthracen-8-ylamino)-propionic acid
Chemical & Physical Properties
[ Molecular Formula ]:
C16H21BrN4O3S
[ Molecular Weight ]:
429.33200
[ Exact Mass ]:
428.05200
[ PSA ]:
122.00000
[ LogP ]:
3.54390
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AY5088500
- CHEMICAL NAME :
- beta-Alanine, N-(7,8-dihydro-7,7-dimethyl-4-methoxy-6H-pyrimido(4,5 -b)(1,4)benzothiazin- 9-yl)-, monohydrobromide
- CAS REGISTRY NUMBER :
- 102688-89-1
- LAST UPDATED :
- 198909
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C16-H20-N4-O3-S.Br-H
- MOLECULAR WEIGHT :
- 429.38
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 :
- 420 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