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97399-32-1

97399-32-1 structure

97399-32-1 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-[(4-ethoxyphenyl)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-[(4-ethoxyphenyl)carbamoyl]acetamide
CAS Number: 97399-32-1
Molecular Formula: C₂₅H₂₁Br₂N₅O₄S
Molecular Weight: 647.33800
Create Date: 2017-12-07 20:19:10
Modify Date: 2025-09-25 11:00:25

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-[(4-ethoxyphenyl)carbamoyl]acetamide
Synonyms	Acetamide,2-((5-(3,5-dibromo-2-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(((4-ethoxyphenyl)amino)carbonyl) LS-8813

Molecular Formula	C₂₅H₂₁Br₂N₅O₄S
Molecular Weight	647.33800
Exact Mass	644.96800
PSA	146.90000
LogP	5.52490

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AB6326000

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

CAS REGISTRY NUMBER :: 97399-32-1

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C25-H21-Br2-N5-O4-S

MOLECULAR WEIGHT :: 647.39

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

4791-25-7 structure

4791-25-7

97399-40-1 structure

97399-40-1

~60%

97399-32-1 structure

97399-32-1

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

~%

97399-32-1 structure

97399-32-1

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

~%

97399-32-1 structure

97399-32-1

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

~%

97399-32-1 structure

97399-32-1

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

~%

97399-32-1 structure

97399-32-1

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

Precursor 3
21702-79-4 46155-70-8 119-36-8
DownStream 0

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