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116989-79-8

116989-79-8 structure

116989-79-8 structure

Name: 2-[[4-(4-bromophenyl)-5-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Chemical Name: 2-[[4-(4-bromophenyl)-5-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CAS Number: 116989-79-8
Molecular Formula: C₂₅H₁₇BrN₆O₂S
Molecular Weight: 545.41000
Create Date: 2017-05-09 01:31:10
Modify Date: 2025-10-22 14:37:12

Name	2-[[4-(4-bromophenyl)-5-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Density	1.67g/cm3
Boiling Point	765.6ºC at 760 mmHg
Molecular Formula	C₂₅H₁₇BrN₆O₂S
Molecular Weight	545.41000
Flash Point	416.8ºC
Exact Mass	544.03200
PSA	124.02000
LogP	5.30590
Vapour Pressure	1.19E-24mmHg at 25°C
Index of Refraction	1.804

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AF6340000

CHEMICAL NAME :: Acetic acid, ((1-(4-bromophenyl)-5-((6H-indolo(2,3-b)quinoxalin-6- yl)methyl)-1H-1,3,4- triazol-2-yl)thio)-

CAS REGISTRY NUMBER :: 116989-79-8

LAST UPDATED :: 199103

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C25-H17-Br-N6-O2-S

MOLECULAR WEIGHT :: 545.45

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 681 mg/kg

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity)

REFERENCE :: APJUA8 Acta Pharmaceutica Jugoslavica. (FDH, Masarykova 2, 41000 Zagreb, Yugoslavia) V.1-41, 1951-1991. Volume(issue)/page/year: 38,11,1988

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