Paravallarinol

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Names

[ CAS No. ]:
17083-11-3

[ Name ]:
Paravallarinol

[Synonym ]:
(20S)-Des-A,B-22-(acetoxy)-23,24-dinorcholane-8-one
3,5-dimethoxy-N-((5-thioxo-4-(m-tolyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide

Chemical & Physical Properties

[ Density]:
1.1g/cm3

[ Boiling Point ]:
485.2ºC at 760mmHg

[ Molecular Formula ]:
C22H37NO2

[ Molecular Weight ]:
347.53500

[ Flash Point ]:
86.8ºC

[ Exact Mass ]:
347.28200

[ PSA ]:
52.49000

[ LogP ]:
3.89750

[ Vapour Pressure ]:
1.89E-11mmHg at 25°C

[ Index of Refraction ]:
1.561

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU4817000
CHEMICAL NAME :
Pregn-5-ene-18,20-alpha-diol, 3-beta-(methylamino)-
CAS REGISTRY NUMBER :
17083-11-3
LAST UPDATED :
198702
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C22-H37-N-O2
MOLECULAR WEIGHT :
347.60

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 25,795,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 25,795,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
67 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 25,795,1970

Related Compounds

  • Paravallarinol HCl
  • Paravallarinol maleate
  • N-Methyl-dihydro-paravallarinol
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalen-3-ylacetic acid methyl ester
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide