Paravallarinol

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Names

[ 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
1-[1-(2,4,6-Trimethylphenyl)cyclopropyl]ethan-1-one
3-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
5-Amino-4'-fluoro-[1,1'-biphenyl]-2-carboxylic acid
methyl[2-(1-methyl-1H-indol-3-yl)propan-2-yl]amine
2-(1,2-dimethyl-1H-indol-3-yl)propan-2-amine
[2-(1,2-dimethyl-1H-indol-3-yl)ethyl](methyl)amine
2-(1,2-dimethyl-1H-indol-3-yl)propan-1-amine
5-methoxy-2-(1H-pyrazol-4-yl)pyridine
1-(5-Chloro-2-methoxyphenyl)ethane-1,2-diol
1-(2-Chloro-4-methoxyphenyl)ethane-1,2-diol

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