1-butyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid,hydrochloride

Names

[ CAS No. ]:
102584-99-6

[ Name ]:
1-butyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid,hydrochloride

[Synonym ]:
1-Butyl-3-pyrrolidinylxanthene-9-carboxylate hydrochloride
AHR 353
Xanthene-9-carboxylic acid,1-butyl-3-pyrrolidinyl ester,hydrochloride

Chemical & Physical Properties

[ Boiling Point ]:
515.3ºC at 760mmHg

[ Molecular Formula ]:
C22H26ClNO3

[ Molecular Weight ]:
387.90000

[ Flash Point ]:
265.5ºC

[ Exact Mass ]:
387.16000

[ PSA ]:
49.77000

[ LogP ]:
5.81860

[ Vapour Pressure ]:
1.91E-11mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ZD5546000
CHEMICAL NAME :
Xanthene-9-carboxylic acid, 1-butyl-3-pyrrolidinyl ester, hydrochloride
CAS REGISTRY NUMBER :
102584-99-6
LAST UPDATED :
199706
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C22-H25-N-O3.Cl-H
MOLECULAR WEIGHT :
387.94
WISWESSER LINE NOTATION :
T C666 BO IHJ IVO- CT5NTJ A4 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
92 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 2,523,1960

Related Compounds

  • 3-(3-methoxyphenyl)-2-((4-methylbenzyl)thio)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
  • Ethyl 1-ethyl-5-(thiophen-2-yl)-1H-pyrazole-3-carboxylate
  • 2-((2,5-dimethylbenzyl)thio)-3-(3-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
  • 3-(3-methoxyphenyl)-2-((3-methylbenzyl)thio)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
  • 3-(3-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)-2-((4-vinylbenzyl)thio)quinazolin-4(3H)-one
  • 2-((3-methoxybenzyl)thio)-3-(3-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
  • 2-(benzylthio)-3-(3-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
  • N-benzyl-2-((3-fluorobenzyl)thio)-3-(3-methoxyphenyl)-N-methyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
  • {4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl 5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxylate
  • N-(2-Cyano-3-methylbutan-2-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide
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