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Substance Name: 1H-1,4-Benzodiazepine-3-carboxylic acid, 2-hydroxy-7-nitro-5-phenyl-, monopotassium salt, compd. with potassium hydroxide
RN: 24477-47-2
InChIKey: RLJAGKQMMRLUSE-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H10-N3-O5.K.H-K-O

Molecular Weight

  • 419.474
 
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Names and Synonyms

Synonym

  • 4335 CB

Systematic Name

  • 1H-1,4-Benzodiazepine-3-carboxylic acid, 2-hydroxy-7-nitro-5-phenyl-, monopotassium salt, compd. with potassium hydroxide

Registry Numbers

CAS Registry Number

  • 24477-47-2

System Generated Number

  • 0024477472

Molecular Formulas

Molecular Formula

  • C16-H10-N3-O5.K.H-K-O

Molecular Formula Fragments

  • C16-H10-N3-O5
  • COMPONENT
  • H-K-O
  • K

Structure Descriptors

InChI

1S/C16H11N3O5.2K.H2O/c20-15-14(16(21)22)18-13(9-4-2-1-3-5-9)11-8-10(19(23)24)6-7-12(11)17-15;;;/h1-8,14H,(H,17,20)(H,21,22);;;1H2/q;2*+1;/p-2

InChIKey

RLJAGKQMMRLUSE-UHFFFAOYSA-L

Smiles

c12C(c3ccccc3)=N[C@@H](C(=O)[O-])C(=Nc1ccc(c2)[N+](=O)[O-])O.[K+].[K+].[OH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LDLo oral 560mg/kg (560mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 239, 1969.
mouse LD50 oral 560mg/kg (560mg/kg)   United States Patent Document. Vol. #3966793,