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Substance Name: Phosphorodiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydroxypropyl)-, O-(2-chloroethyl) ester, acetate
RN: 78218-89-0
InChIKey: UAJQQCPLUDQEDQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H22-Cl3-N2-O4-P

Molecular Weight

  • 383.6378
 
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Names and Synonyms

Synonyms

  • (2-Chloroethyl) N,N-bis(2-chloroethyl)-N'-(3-acetoxypropyl)phosphorodiamidate
  • B 861

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78218-89-0

System Generated Number

  • 0078218890

Structure Descriptors

InChI

1S/C11H22Cl3N2O4P/c1-11(17)19-9-2-6-15-21(18,20-10-5-14)16(7-3-12)8-4-13/h2-10H2,1H3,(H,15,18)

InChIKey

UAJQQCPLUDQEDQ-UHFFFAOYSA-N

Smiles

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

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.