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Substance Name: CP 1414S
RN: 36975-99-2
InChIKey: HFHILYKHJBJVOM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H12-N4-O3.C-H4-O3-S

Molecular Weight

  • 392.39
 
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Names and Synonyms

Name of Substance

  • CP 1414S

Synonym

  • 4-Amino-8-nitro-1-phenyl-2H-1,3-dihydro-(1,5)-benzodiazepin-2-one hydrogen methanesulfonate

Systematic Name

  • 2H-(1,5)-Benzodiazepin-2-one, 1,3-dihydro-4-amino-8-nitro-1-phenyl-, hydrogen methanesulfonate

Registry Numbers

CAS Registry Number

  • 36975-99-2

System Generated Number

  • 0036975992

Molecular Formulas

Molecular Formula

  • C15-H12-N4-O3.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C15-H12-N4-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C15H12N4O3.CH4O3S/c16-14-9-15(20)18(10-4-2-1-3-5-10)13-8-11(19(21)22)6-7-12(13)17-14;1-5(2,3)4/h1-8H,9H2,(H2,16,17);1H3,(H,2,3,4)

InChIKey

HFHILYKHJBJVOM-UHFFFAOYSA-N

Smiles

N1(c2c(N=C(CC1=O)[NH2+])ccc(c2)[N+](=O)[O-])c1ccccc1.S(C)(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3200mg/kg (3200mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 1011, 1973.