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Substance Name: Benzilic acid, 2-(cyclohexylmethylamino)ethyl ester
RN: 21446-98-0
InChIKey: QOQASOIBPDSQCL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O3

Molecular Weight

  • 367.486
 
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Names and Synonyms

Synonyms

  • 2-(Cyclohexylmethylamino)ethyl benzilate
  • 3-12-00-00024 (Beilstein Handbook Reference)
  • BRN 2171503

Systematic Name

  • Benzilic acid, 2-(cyclohexylmethylamino)ethyl ester

Registry Numbers

CAS Registry Number

  • 21446-98-0

System Generated Number

  • 0021446980

Structure Descriptors

InChI

1S/C23H29NO3/c1-24(21-15-9-4-10-16-21)17-18-27-22(25)23(26,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14,21,26H,4,9-10,15-18H2,1H3

InChIKey

QOQASOIBPDSQCL-UHFFFAOYSA-N

Smiles

C(C(O)(c1ccccc1)c1ccccc1)(=O)OCC[N@@](C)C1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 175mg/kg (175mg/kg)   Pharmaceutical Chemistry Journal Vol. 2, Pg. 201, 1968.