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97399-29-6

97399-29-6 structure

97399-29-6 structure

Name: 2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-methylphenyl)carbamoyl]acetamide
Chemical Name: 2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-methylphenyl)carbamoyl]acetamide
CAS Number: 97399-29-6
Molecular Formula: C₂₄H₁₉Br₂N₅O₃S
Molecular Weight: 617.31200
Create Date: 2017-03-14 21:28:58
Modify Date: 2024-01-10 09:37:04

Name	2-[[(5Z)-5-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-methylphenyl)carbamoyl]acetamide
Synonyms	LS-8817 Acetamide,2-((5-(3,5-dibromo-2-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(((3-methylphenyl)amino)carbonyl)

Molecular Formula	C₂₄H₁₉Br₂N₅O₃S
Molecular Weight	617.31200
Exact Mass	614.95800
PSA	141.16000
LogP	5.37520

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AB6330010

CHEMICAL NAME :: Acetamide, 2-((5-(3,5-dibromo-2-hydroxyphenyl)-4-phenyl-4H-1,2,4 -triazol-3-yl)thio)-N- (((3-methylphenyl)amino)carbonyl)-

CAS REGISTRY NUMBER :: 97399-29-6

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C24-H19-Br2-N5-O3-S

MOLECULAR WEIGHT :: 617.36

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 800 mg/kg

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

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 20,190,1985

97399-40-1 structure

97399-40-1

5544-33-2 structure

5544-33-2

~58%

97399-29-6 structure

97399-29-6

Literature: Soni; Bhalla; Gupta; et al. European Journal of Medicinal Chemistry, 1985 , vol. 20, # 2 p. 190 - 192

21702-79-4 structure

21702-79-4

~%

97399-29-6 structure

97399-29-6

Literature: Soni; Bhalla; Gupta; et al. European Journal of Medicinal Chemistry, 1985 , vol. 20, # 2 p. 190 - 192

46155-70-8 structure

46155-70-8

~%

97399-29-6 structure

97399-29-6

Literature: Soni; Bhalla; Gupta; et al. European Journal of Medicinal Chemistry, 1985 , vol. 20, # 2 p. 190 - 192

94493-96-6 structure

94493-96-6

~%

97399-29-6 structure

97399-29-6

Literature: Soni; Bhalla; Gupta; et al. European Journal of Medicinal Chemistry, 1985 , vol. 20, # 2 p. 190 - 192

119-36-8 structure

119-36-8

~%

97399-29-6 structure

97399-29-6

Literature: Soni; Bhalla; Gupta; et al. European Journal of Medicinal Chemistry, 1985 , vol. 20, # 2 p. 190 - 192

Precursor 4
5544-33-2 21702-79-4 46155-70-8 119-36-8
DownStream 0

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