(2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-methylpentanoic acid,dihydrochloride

Names

[ CAS No. ]:
57533-05-8

[ Name ]:
(2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-methylpentanoic acid,dihydrochloride

[Synonym ]:
L-Leucine-4-antipyrineamide dihydrochloride
WK 30 dihydrochloride
L-Leucine,N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-,dihydrochloride
(2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-methylpentanoic acid dihydrochloride

Chemical & Physical Properties

[ Boiling Point ]:
469.6ºC at 760 mmHg

[ Molecular Formula ]:
C17H25Cl2N3O3

[ Molecular Weight ]:
390.30500

[ Flash Point ]:
237.8ºC

[ Exact Mass ]:
389.12700

[ PSA ]:
76.26000

[ LogP ]:
4.07260

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OH3165500
CHEMICAL NAME :
L-Leucine, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol -4-yl)-, dihydrochloride
CAS REGISTRY NUMBER :
57533-05-8
LAST UPDATED :
199706
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C17-H23-N3-O3.2Cl-H
MOLECULAR WEIGHT :
390.35

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3010 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PMHBAH Polish Medical Sciences and History Bulletin. (Chicago, IL) V.1-15, 1956-76. Discontinued. Volume(issue)/page/year: 17(4),323,1974 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5600 mg/kg/56D-I
TOXIC EFFECTS :
Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic) Behavioral - antipsychotic Blood - changes in leukocyte (WBC) count
REFERENCE :
PMHBAH Polish Medical Sciences and History Bulletin. (Chicago, IL) V.1-15, 1956-76. Discontinued. Volume(issue)/page/year: 17(4),323,1974

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 2-{[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3,3-dimethylbutanamido]methyl}pentanoic acid
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 2-{[(2S)-1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl]methyl}prop-2-enoic acid
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine