4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-hydroxy-3-methoxyphenyl)-, hexanedioate, hydrate (4:2:1)
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Names
[ CAS No. ]:
79677-09-1
[ Name ]:
4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-hydroxy-3-methoxyphenyl)-, hexanedioate, hydrate (4:2:1)
[Synonym ]:
4,6-Isoquinolinediol,1,2,3,4-tetrahydro-1-(4-hydroxy-3-methoxyphenyl)-,hexanedioate,hydrate (4:2:1)
1-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-ium-4,6-diol
1,2,3,4-Tetrahydro-1-(4-hydroxy-3-methoxyphenyl)-4,6-isoquinolinediol hexanedioate H2O (4:2:1)
Chemical & Physical Properties
[ Boiling Point ]:
539ºC at 760 mmHg
[ Molecular Formula ]:
C22H27NO8
[ Molecular Weight ]:
433.45200
[ Flash Point ]:
279.8ºC
[ Exact Mass ]:
433.17400
[ PSA ]:
156.55000
[ LogP ]:
2.87720
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NX0484100
- CAS REGISTRY NUMBER :
- 79677-09-1
- LAST UPDATED :
- 198706
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C16-H17-N-O4.1/2C6-H10-O4.1/4H2-O
- MOLECULAR WEIGHT :
- 364.89
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- 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: 18,262,1984