102689-18-9

102689-18-9 structure

Name: 4-benzyl-2-(2,2-dimethylthian-4-yl)-5-phenyl-4H-pyrazol-3-one
Chemical Name: 4-benzyl-2-(2,2-dimethylthian-4-yl)-5-phenyl-4H-pyrazol-3-one
CAS Number: 102689-18-9
Molecular Formula: C₂₃H₂₆N₂OS
Molecular Weight: 378.53000
Create Date: 2016-07-15 20:50:56
Modify Date: 2024-04-08 18:47:22

Name	4-benzyl-2-(2,2-dimethylthian-4-yl)-5-phenyl-4H-pyrazol-3-one
Synonyms	3H-Pyrazol-3-one,2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(tetrahydro-2,2-dimethyl-2H-thiopyran-4-yl)

Molecular Formula	C₂₃H₂₆N₂OS
Molecular Weight	378.53000
Exact Mass	378.17700
PSA	57.97000
LogP	4.13950

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UR0481000

CHEMICAL NAME :: 3H-Pyrazol-3-one, 2,4-dihydro-5-phenyl-4-(phenylmethyl)-2-(tetrahydro-2 ,2-dimethyl-2H- thiopyran-4-yl)-

CAS REGISTRY NUMBER :: 102689-18-9

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C23-H26-N2-O-S

MOLECULAR WEIGHT :: 378.57

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >450 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 19,470,1985

2323-13-9

102689-18-9

Literature: Vartanyan, S. A.; Vartanyan, R. S.; Karamyan, S. A.; Avetyan, L. O.; Apoyan, N. A.; Melkonyan, Zh. S. Pharmaceutical Chemistry Journal, 1985 , vol. 19, # 7 p. 470 - 473 Khimiko-Farmatsevticheskii Zhurnal, 1985 , vol. 19, # 7 p. 821 - 825

Precursor 1
2323-13-9
DownStream 0

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