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(S)-3-METHYLHEXANOICACID

Names

[ CAS No. ]:
21888-96-0

[ Name ]:
(S)-3-METHYLHEXANOICACID

Chemical & Physical Properties

[ Molecular Formula ]:
C23H27ClN2O2

[ Molecular Weight ]:
398.92600

[ Exact Mass ]:
398.17600

[ PSA ]:
49.41000

[ LogP ]:
4.34190

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DW1080000
CHEMICAL NAME :
(3,4'-Bipiperidine)-2,6-dione, 3-phenyl-1'-(phenylmethyl)-, hydrochloride, (S)-
CAS REGISTRY NUMBER :
21888-96-0
LAST UPDATED :
199012
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C23-H26-N2-O2.Cl-H
MOLECULAR WEIGHT :
398.97
WISWESSER LINE NOTATION :
T6VMVTJ DR& D- DT6NTJ D1R &GH -S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
45 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,219,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
45 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,1365,1971

Related Compounds