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

Related Compounds

  • 7-methyl-6',7'-dihydro-5'H-spiro[cycloheptane-1,4'-furo[3,2-c]pyridine]
  • 4-(2,2-dimethoxyethyl)-4-methyl-4H,5H,6H,7H-furo[3,2-c]pyridine
  • dimethyl(2-{4-methyl-4H,5H,6H,7H-furo[3,2-c]pyridin-4-yl}ethyl)amine
  • 3-methanesulfonyl-5',6'-dihydro-4'H-spiro[cyclobutane-1,7'-furo[2,3-c]pyridine]
  • 7-(3-cyclopropylpropyl)-4H,5H,6H,7H-thieno[2,3-c]pyridine
  • 3,3',3'a,4',5,5',6,6',6'a,7-decahydro-2'H-spiro[imidazo[4,5-c]pyridine-4,1'-pentalene]
  • 6',7'-dihydro-5'H-spiro[bicyclo[4.2.0]octane-7,4'-furo[3,2-c]pyridine]
  • 2',6'-dimethyl-6,7-dihydro-5H-spiro[furo[3,2-c]pyridine-4,4'-oxane]
  • [2-(4-methanesulfonyl-1H-pyrazol-1-yl)-1-(oxolan-3-yl)ethyl](methyl)amine
  • 3-[2-(4-methanesulfonyl-1H-pyrazol-1-yl)ethyl]piperidine
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