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Substance Name: Phenol, p-(bis(2-chloroethyl)amino)-, hexanoate (ester)
RN: 76806-93-4
InChIKey: HVBFHLASOLNPMP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-Cl2-N-O2

Molecular Weight

  • 332.2687
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 76806-93-4

System Generated Number

  • 0076806934

Structure Descriptors

InChI

1S/C16H23Cl2NO2/c1-2-3-4-5-16(20)21-15-8-6-14(7-9-15)19(12-10-17)13-11-18/h6-9H,2-5,10-13H2,1H3

InChIKey

HVBFHLASOLNPMP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 17700ug/kg (17.7mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

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