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Substance Name: Ketone, (1-hydroxycyclohexyl)phenyl, 2-(dimethylamino)ethyl methyl acetal, oxalate
RN: 99998-17-1
InChIKey: WBKGUBGBFAGDQC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H29-N-O3.C2-H2-O4

Molecular Weight

  • 397.465
 
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Names and Synonyms

Synonym

  • Cyclohexanol, 1-(alpha-(2-(dimethylamino)ethoxy)-alpha-methoxybenzyl)-, oxalate

Systematic Name

  • Ketone, (1-hydroxycyclohexyl)phenyl, 2-(dimethylamino)ethyl methyl acetal, oxalate

Registry Numbers

CAS Registry Number

  • 99998-17-1

System Generated Number

  • 0099998171

Molecular Formulas

Molecular Formula

  • C18-H29-N-O3.C2-H2-O4

Molecular Formula Fragments

  • C18-H29-N-O3
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H29NO3.C2H2O4/c1-19(2)14-15-22-18(21-3,16-10-6-4-7-11-16)17(20)12-8-5-9-13-17;3-1(4)2(5)6/h4,6-7,10-11,20H,5,8-9,12-15H2,1-3H3;(H,3,4)(H,5,6)

InChIKey

WBKGUBGBFAGDQC-UHFFFAOYSA-N

Smiles

C1([C@@](c2ccccc2)(OCC[NH+](C)C)OC)(CCCCC1)O.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmaceutical Sciences. Vol. 54, Pg. 59, 1965.