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Substance Name: Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide
RN: 135732-01-3
InChIKey: SXNIIUHIPKJVSJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-Cl-N2-O7-P

Molecular Weight

  • 510.9082
 
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Names and Synonyms

Synonyms

  • BRN 5367567
  • N,N-(beta-Chloroethyl-beta-cyanoethyl)amidophosphoryldibenzo-17-crown-6

Systematic Name

  • Propanenitrile, 3-((2-chloroethyl)(6,7,9,10,12,13-hexahydrodibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin-20-yl)amino)-, P-oxide

Registry Numbers

CAS Registry Number

  • 135732-01-3

System Generated Number

  • 0135732013

Structure Descriptors

InChI

1S/C23H28ClN2O7P/c24-10-13-26(12-5-11-25)34(27)32-22-8-3-1-6-20(22)30-18-16-28-14-15-29-17-19-31-21-7-2-4-9-23(21)33-34/h1-4,6-9H,5,10,12-19H2

InChIKey

SXNIIUHIPKJVSJ-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)OCCOCCOCCOc3ccccc3OP(=O)(O2)N(CCC#N)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. Vol. 22, Pg. 36, 1990.