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Substance Name: Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, O-(2-chloroethyl) ester, 4-bromobutyrate
RN: 78218-91-4
InChIKey: RDFHQVCMUOIOPN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H25-Br-Cl3-N2-O4-P

Molecular Weight

  • 490.5875
 
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Names and Synonyms

Synonyms

  • (2-Chloroethyl) N,N-bis(2-chloroethyl)-N'-(3-(4-bromobutyryloxy)propyl)phosphorodiamidate
  • B 865

Systematic Name

  • Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, O-(2-chloroethyl) ester, 4-bromobutyrate

Registry Numbers

CAS Registry Number

  • 78218-91-4

System Generated Number

  • 0078218914

Structure Descriptors

InChI

1S/C13H25BrCl3N2O4P/c14-4-1-3-13(20)22-11-2-8-18-24(21,23-12-7-17)19(9-5-15)10-6-16/h1-12H2,(H,18,21)

InChIKey

RDFHQVCMUOIOPN-UHFFFAOYSA-N

Smiles

C(CC(=O)OCCCNP(=O)(N(CCCl)CCCl)OCCCl)CBr

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 800mg/kg (800mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 11, Pg. 143, 1961.