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Substance Name: Phenol, p-(bis(2-chloroethyl)amino)-, decanoate (ester)
RN: 76806-94-5
InChIKey: XZBHYNUHPBBJRU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-Cl2-N-O2

Molecular Weight

  • 388.3759
 
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Names and Synonyms

Synonym

  • p-N,N-Bis(2-chloroethyl)aminophenol decanoate ester

Systematic Name

  • Phenol, p-(bis(2-chloroethyl)amino)-, decanoate (ester)

Registry Numbers

CAS Registry Number

  • 76806-94-5

System Generated Number

  • 0076806945

Structure Descriptors

InChI

1S/C20H31Cl2NO2/c1-2-3-4-5-6-7-8-9-20(24)25-19-12-10-18(11-13-19)23(16-14-21)17-15-22/h10-13H,2-9,14-17H2,1H3

InChIKey

XZBHYNUHPBBJRU-UHFFFAOYSA-N

Smiles

CCCCCCCCCC(=O)Oc1ccc(cc1)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 19700ug/kg (19.7mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

GASTROINTESTINAL: OTHER CHANGES
Journal of Pharmaceutical Sciences. Vol. 70, Pg. 46, 1981.