2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfonylacetamide

Modify Date: 2025-09-20 18:21:28

2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfonylacetamide Structure
2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfonylacetamide structure
 Common Name 2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfonylacetamide
CAS Number 110579-19-6 Molecular Weight 413.36300
Density 1.67g/cm3 Boiling Point 795ºC at 760mmHg
Molecular Formula C14H15N5O8S Melting Point N/A
MSDS N/A Flash Point 434.6ºC

 Names

Name 2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfonylacetamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.67g/cm3
Boiling Point 795ºC at 760mmHg
Molecular Formula C14H15N5O8S
Molecular Weight 413.36300
Flash Point 434.6ºC
Exact Mass 413.06400
PSA 205.29000
LogP 3.60070
Vapour Pressure 2.87E-25mmHg at 25°C
Index of Refraction 1.687
InChIKey GMMWXOPOSSRQGW-UHFFFAOYSA-N
SMILES COc1ccc(Cn2c(C)nc([N+](=O)[O-])c2S(=O)(=O)CC(N)=O)cc1[N+](=O)[O-]

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AC5956370
CHEMICAL NAME :
Acetamide, 2-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-ni tro-1H-imidazol-5-yl) sulfonyl)-
CAS REGISTRY NUMBER :
110579-19-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H15-N5-O8-S
MOLECULAR WEIGHT :
413.40

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2500 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
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: 21,403,1987

 Synonyms

LS-9834
Acetamide,2-((1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazol-5-yl)sulfonyl)
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Chemsrc provides CAS#:110579-19-6 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfonylacetamide>> amp version: 2-[3-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-5-nitroimidazol-4-yl]sulfonylacetamide

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