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Substance Name: Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester
RN: 66232-30-2
InChIKey: XHDQZPFSXMCVDF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H51-Cl2-N-O2

Molecular Weight

  • 528.644
 
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Names and Synonyms

Synonyms

  • 2-(N,N-Bis(2-chloroethyl)aminophenyl)acetic acid octadecyl ester
  • BRN 2917059

Systematic Name

  • Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester

Registry Numbers

CAS Registry Number

  • 66232-30-2

System Generated Number

  • 0066232302

Structure Descriptors

InChI

1S/C30H51Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-35-30(34)27-28-18-20-29(21-19-28)33(24-22-31)25-23-32/h18-21H,2-17,22-27H2,1H3

InChIKey

XHDQZPFSXMCVDF-UHFFFAOYSA-N

Smiles

c1(N(CCCl)CCCl)ccc(CC(OCCCCCCCCCCCCCCCCCC)=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 140mg/kg (140mg/kg)   Pharmaceutical Chemistry Journal Vol. 12, Pg. 205, 1978.
rat LD50 oral 200mg/kg (200mg/kg)   Pharmaceutical Chemistry Journal Vol. 12, Pg. 205, 1978.