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Substance Name: 4-Nitrophenyl 4'-guanidinobenzoate
RN: 21658-26-4
InChIKey: CFOQGBUQTOGYKI-UHFFFAOYSA-N

Note

  • Kallikrein substrate; acrosin antagonist in sperm; serine esterase inhibitor.

Classification Codes

  • Mutation Data
  • Reproductive Effect

Molecular Formula

  • C14-H12-N4-O4

Molecular Weight

  • 300.273
 
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Names and Synonyms

Name of Substance

  • 4-Nitrophenyl 4'-guanidinobenzoate

Synonyms

  • 4-Nitrophenyl 4-guanidinobenzoate
  • BRN 2819493
  • Nitrophenyl p-guanidinobenzoate
  • NPGB
  • p-Guanidinobenzoic acid p-nitrophenyl ester
  • p-Nitrophenyl p-guanidino-benzoate
  • p-Nitrophenyl-p'-guanidino benzoate
  • p-Nitrophenyl-p'-guanidinobenzoate

Systematic Names

  • Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-nitrophenyl ester (9CI)
  • Benzoic acid, p-guanidino-, p-nitrophenyl ester

Registry Numbers

CAS Registry Number

  • 21658-26-4

Related Registry Number

  • 19135-17-2 (hydrochloride)

System Generated Number

  • 0021658264

Structure Descriptors

InChI

1S/C14H12N4O4/c15-14(16)17-10-3-1-9(2-4-10)13(19)22-12-7-5-11(6-8-12)18(20)21/h1-8H,(H4,15,16,17)

InChIKey

CFOQGBUQTOGYKI-UHFFFAOYSA-N

Smiles

c1(C(Oc2ccc([N+](=O)[O-])cc2)=O)ccc(NC(N)=N)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/kg) BRAIN AND COVERINGS: MENINGEAL CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Biology of Reproduction. Vol. 20, Pg. 1045, 1979.