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Substance Name: P-(4-Hydroxyphenoxycarbonylamino)-methyl ester, ester with bis(1-aziridinyl)phosphinate benzoic acid
RN: 41920-57-4
UNII: JTQ7H9V3RO
InChIKey: PUGINGMEBRJXLW-UHFFFAOYSA-N

Molecular Formula

  • C19-H20-N3-O6-P

Molecular Weight

  • 417.356
 
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Names and Synonyms

Name of Substance

  • P-(4-Hydroxyphenoxycarbonylamino)-methyl ester, ester with bis(1-aziridinyl)phosphinate benzoic acid

Synonyms

  • 5-20-01-00109 (Beilstein Handbook Reference)
  • BRN 1609626
  • NSC 200717
  • Phosphinic acid, bis(1-aziridinyl)-, p-(methoxycarbonylcarbaniloyloxy)phenyl ester
  • UNII-JTQ7H9V3RO

Systematic Names

  • Benzoic acid, 4-(((4-((bis(1-aziridinyl)phosphinyl)oxy)phenoxy)carbonyl)amino)-, methyl ester (9CI)
  • Benzoic acid, p-(4-hydroxyphenoxycarbonylamino)-, methyl ester, ester with bis(1-aziridinyl)phosphinate

Registry Numbers

CAS Registry Number

  • 41920-57-4

FDA UNII

  • JTQ7H9V3RO

System Generated Number

  • 0041920574

Structure Descriptors

InChI

1S/C19H20N3O6P/c1-26-18(23)14-2-4-15(5-3-14)20-19(24)27-16-6-8-17(9-7-16)28-29(25,21-10-11-21)22-12-13-22/h2-9H,10-13H2,1H3,(H,20,24)

InChIKey

PUGINGMEBRJXLW-UHFFFAOYSA-N

Smiles

P(N1CC1)(N1CC1)(Oc1ccc(OC(Nc2ccc(C(OC)=O)cc2)=O)cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1002mg/kg (1002mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 391, 1973.