4-[[(2R)-2-hydroxypropyl]amino]-2,2-dimethyl-7-pentyl-3H-thiochromen-5-one

Names

[ CAS No. ]:
129783-67-1

[ Name ]:
4-[[(2R)-2-hydroxypropyl]amino]-2,2-dimethyl-7-pentyl-3H-thiochromen-5-one

Chemical & Physical Properties

[ Density]:
1.11g/cm3

[ Boiling Point ]:
502.1ºC at 760 mmHg

[ Molecular Formula ]:
C19H29NO2S

[ Molecular Weight ]:
335.50400

[ Flash Point ]:
257.5ºC

[ Exact Mass ]:
335.19200

[ PSA ]:
74.63000

[ LogP ]:
4.49060

[ Vapour Pressure ]:
3.46E-12mmHg at 25°C

[ Index of Refraction ]:
1.567

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM0013200
CHEMICAL NAME :
2H-1-Benzothiopyran-5-ol, 3,4-dihydro-2,2-dimethyl-4-((2-hydroxypropyl)imino)-7 -pentyl-, (R)-
CAS REGISTRY NUMBER :
129783-67-1
LAST UPDATED :
199304
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C19-H29-N-O2-S
MOLECULAR WEIGHT :
335.55

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 :
>1600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 33,2865,1990

Related Compounds

  • 3-(4-methoxyphenyl)-N-(2-(2-(pyrimidin-2-yl)-1H-imidazol-1-yl)ethyl)propanamide
  • (2,4-Difluorophenyl)(4-((4-(4-fluorophenyl)thiazol-2-yl)methyl)piperazin-1-yl)methanone hydrochloride
  • N-[4-[[4-[(4,5-Dihydro-3-methyl-1H-pyrazol-5-yl)amino]-6-(3-methylphenyl)-2-pyrimidinyl]thio]phenyl]cyclopropanecarboxamide
  • 5-Bromo-1-ethyl-1,4-dihydro-6-methyl-4-oxo-3-pyridinecarboxylic acid
  • 2-Cyclopentyl-1-(4-((4-(4-fluorophenyl)thiazol-2-yl)methyl)piperazin-1-yl)ethanone hydrochloride
  • (E)-1-(4-((4-(4-fluorophenyl)thiazol-2-yl)methyl)piperazin-1-yl)-3-phenylprop-2-en-1-one hydrochloride
  • (E)-3-(3,4-dimethoxyphenyl)-1-(4-((4-(4-fluorophenyl)thiazol-2-yl)methyl)piperazin-1-yl)prop-2-en-1-one hydrochloride
  • 2-(Benzylthio)-1-(4-((4-(4-fluorophenyl)thiazol-2-yl)methyl)piperazin-1-yl)ethanone hydrochloride
  • 1-(4-((4-(4-Fluorophenyl)thiazol-2-yl)methyl)piperazin-1-yl)-2-(4-methoxyphenyl)ethanone hydrochloride
  • 7-methoxy-N-(2-(2-(pyrimidin-2-yl)-1H-imidazol-1-yl)ethyl)benzofuran-2-carboxamide
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