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13118-10-0

13118-10-0 structure
13118-10-0 structure

Name (1-methylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate,hydrochloride
Synonyms Mandelic acid,1-methyl-3-pyrrolidinyl ester,hydrochloride
AHR-376
1-Methyl-3-(alpha-Cyclopentylmandeloyloxy)Pyrrolidinehydrochloride
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

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