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Substance Name: Ethanol, 2-(N-(2-chloroethyl)anilino)-, iodoacetate
RN: 36455-68-2
InChIKey: CSTXSBAOBAAJGF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-Cl-I-N-O2

Molecular Weight

  • 367.608
 
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Names and Synonyms

Synonyms

  • 2-(N-(2-Chloroethyl)anilino)ethanol iodoacetate
  • Acetic acid, iodo-, 2-((2-chloroethyl)phenylamino)ethyl ester
  • BRN 2986403
  • N-(2-Chloroethyl)-N-(2-iodoacetoxyethyl)aniline

Systematic Name

  • Ethanol, 2-(N-(2-chloroethyl)anilino)-, iodoacetate

Registry Numbers

CAS Registry Number

  • 36455-68-2

System Generated Number

  • 0036455682

Structure Descriptors

InChI

1S/C12H15ClINO2/c13-6-7-15(8-9-17-12(16)10-14)11-4-2-1-3-5-11/h1-5H,6-10H2

InChIKey

CSTXSBAOBAAJGF-UHFFFAOYSA-N

Smiles

C(CI)(=O)OCCN(c1ccccc1)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 25mg/kg (25mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 869, 1972.