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Substance Name: Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, O-(2-chloroethyl) ester, benzoate
RN: 78218-90-3
InChIKey: NGZLHPSFEGSWLO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-Cl3-N2-O4-P

Molecular Weight

  • 445.7086
 
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Names and Synonyms

Synonyms

  • (2-Chloroethyl) N,N-bis(2-chloroethyl)-N'-(3-benzoxypropyl)phosphorodiamidate
  • B 870

Systematic Name

  • Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, O-(2-chloroethyl) ester, benzoate

Registry Numbers

CAS Registry Number

  • 78218-90-3

System Generated Number

  • 0078218903

Structure Descriptors

InChI

1S/C16H24Cl3N2O4P/c17-7-11-21(12-8-18)26(23,25-14-9-19)20-10-4-13-24-16(22)15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2,(H,20,23)

InChIKey

NGZLHPSFEGSWLO-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)OCCCNP(=O)(N(CCCl)CCCl)OCCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 600mg/kg (600mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 143, 1961.