1-Methyl-3-(alpha-Cyclopentylmandeloyloxy)Pyrrolidinehydrochloride

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Names

[ CAS No. ]:
13118-10-0

[ Name ]:
1-Methyl-3-(alpha-Cyclopentylmandeloyloxy)Pyrrolidinehydrochloride

[Synonym ]:
Mandelic acid,1-methyl-3-pyrrolidinyl ester,hydrochloride
AHR-376
1-Methyl-3-(alpha-Cyclopentylmandeloyloxy)Pyrrolidinehydrochloride

Chemical & Physical Properties

[ Density]:
1.17g/cm3

[ Boiling Point ]:
434.6ºC at 760mmHg

[ Molecular Formula ]:
C18H26ClNO3

[ Molecular Weight ]:
339.85700

[ Flash Point ]:
216.7ºC

[ Exact Mass ]:
339.16000

[ PSA ]:
49.77000

[ LogP ]:
3.05160

[ Vapour Pressure ]:
2.52E-08mmHg at 25°C

[ Index of Refraction ]:
1.577

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO7340000
CHEMICAL NAME :
Mandelic acid, alpha-cyclopentyl-, 1-methyl-3-pyrrolidinyl ester, hydrochloride
CAS REGISTRY NUMBER :
13118-10-0
LAST UPDATED :
198910
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C18-H25-N-O3.Cl-H
MOLECULAR WEIGHT :
339.90
WISWESSER LINE NOTATION :
T5NTJ A1 COVXQR&- AL5TJ &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
14 ug/kg/D
TOXIC EFFECTS :
Behavioral - hallucinations, distorted perceptions Behavioral - toxic psychosis
REFERENCE :
CPAJAK Canadian Psychiatric Association Journal. (Ottawa, Ont., Canada) V.1-23, 1956-78. For publisher information, see CJPSDF. Volume(issue)/page/year: 11,S141,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 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
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 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

  • Cyclopropyl[4-(pentyloxy)phenyl]methanone
  • 3-Butyl-5-(chloromethyl)-1,2,4-oxadiazole
  • (1,2,3,4-Tetrahydroquinolin-5-yl)methanamine
  • 2-(Furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
  • N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
  • 2-{[(Cyclopropylcarbamoyl)methyl]sulfanyl}benzoic acid
  • N-benzyl-2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide
  • 10-methyl-1H,2H,3H,4H-benzo[b]1,6-naphthyridin-1-one
  • 2-[(1,3-Thiazol-4-ylmethyl)sulfanyl]benzoic acid
  • N-Thiazol-2-yl-benzene-1,4-diamine
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