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Substance Name: Cyclohexanol, 2-((2-(3,4-dimethylphenyl)ethyl)amino)-6-phenoxy-, hydrochloride, (1-alpha,2-beta,6-beta)-
RN: 108692-73-5
InChIKey: HNCKRYWYTNBNCO-BHRDPBMWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H29-N-O4.Cl-H

Molecular Weight

  • 407.935
 
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Names and Synonyms

Synonym

  • (1-alpha,2-beta,6-beta)-2-((2-(3,4-Dimethylphenyl)ethyl)amino)-6-phenoxycyclohexanol HCl

Systematic Name

  • Cyclohexanol, 2-((2-(3,4-dimethylphenyl)ethyl)amino)-6-phenoxy-, hydrochloride, (1-alpha,2-beta,6-beta)-

Registry Numbers

CAS Registry Number

  • 108692-73-5

System Generated Number

  • 0108692735

Molecular Formulas

Molecular Formula

  • C22-H29-N-O4.Cl-H

Molecular Formula Fragments

  • C22-H29-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H29NO4.ClH/c1-25-19-12-11-16(15-21(19)26-2)13-14-23-18-9-6-10-20(22(18)24)27-17-7-4-3-5-8-17;/h3-5,7-8,11-12,15,18,20,22-24H,6,9-10,13-14H2,1-2H3;1H/t18-,20+,22+;/m0./s1

InChIKey

HNCKRYWYTNBNCO-BHRDPBMWSA-N

Smiles

COc1ccc(cc1OC)CCN[C@H]2CCC[C@H]([C@@H]2O)Oc3ccccc3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Journal of the Indian Chemical Society. Vol. 62, Pg. 909, 1985.