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Substance Name: Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)-
RN: 42069-45-4
InChIKey: LPPUMUBGSJOTPE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-N2-O4-S

Molecular Weight

  • 346.4052
 
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Names and Synonyms

Synonyms

  • 2-Ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)ethanone
  • BRN 3007307

Systematic Name

  • Ethanone, 2-ethoxy-2-((4-(methylthio)phenyl)amino)-1-(3-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 42069-45-4

System Generated Number

  • 0042069454

Structure Descriptors

InChI

1S/C17H18N2O4S/c1-3-23-17(18-13-7-9-15(24-2)10-8-13)16(20)12-5-4-6-14(11-12)19(21)22/h4-11,17-18H,3H2,1-2H3

InChIKey

LPPUMUBGSJOTPE-UHFFFAOYSA-N

Smiles

CCOC(C(=O)c1cccc(c1)[N+](=O)[O-])Nc2ccc(cc2)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 3gm/kg (3000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 23, Pg. 573, 1973.