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

  • (1R)-2-amino-1-(6-fluoropyridin-3-yl)ethan-1-ol
  • 3-[6-(Pyrrolidin-1-yl)pyridin-3-yl]azetidin-3-ol
  • 2-hydroxy-3-(1H-indol-3-yl)-3-methylbutanoic acid
  • 2-Amino-3-(2-bromo-6-chlorophenyl)-2-methylpropan-1-ol
  • [2,2-Difluoro-1-(furan-3-yl)cyclopropyl]methanamine
  • 1-{1-[2-(Difluoromethoxy)-3-methylphenyl]cyclopropyl}cyclopropan-1-amine
  • 2-Methyl-4-(5-nitropyridin-2-yl)butanoic acid
  • 1-[3-Chloro-4-(trifluoromethoxy)phenyl]-2-fluoroethan-1-ol
  • Methyl 4-(3-amino-1-hydroxypropyl)-2-methylbenzoate
  • 3-(4-Bromothiophen-2-yl)-2-hydroxy-2-methylpropanoic acid
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