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
N-(4-(benzofuran-2-yl)thiazol-2-yl)-4-((3-methylpiperidin-1-yl)sulfonyl)benzamide
N-(4-(benzofuran-2-yl)thiazol-2-yl)-2,5-dimethylfuran-3-carboxamide
N-(4-(benzofuran-2-yl)thiazol-2-yl)-2-(2-chlorophenyl)acetamide
N-(4-(benzofuran-2-yl)thiazol-2-yl)-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
N-(4-(benzofuran-2-yl)thiazol-2-yl)-2-(N-methylmethylsulfonamido)acetamide
(Z)-3-(benzo[d][1,3]dioxol-5-yl)-1-(4-(4-(methylthio)benzo[d]thiazol-2-yl)piperazin-1-yl)prop-2-en-1-one
(Z)-1-(4-(4-(methylthio)benzo[d]thiazol-2-yl)piperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
(Z)-N-(5,6-dimethyl-3-(2-(methylthio)ethyl)benzo[d]thiazol-2(3H)-ylidene)-5,6-dihydro-1,4-dioxine-2-carboxamide
(Z)-3-((4-fluorophenyl)thio)-N-(7-(2-(methylthio)ethyl)-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6(7H)-ylidene)propanamide
Benzenesulfonamide, 4-hydrazinyl-N-[1-(3-pyridinyl)ethyl]-

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