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Substance Name: 4-Cyclohexene-1,2-diol, 3,6-bis((phenylmethyl)amino)-, dihydrochloride, (1-alpha,2-beta,3-alpha,6-beta)-
RN: 137866-76-3
InChIKey: BUPOPSWIQULWOM-LRYKGSQRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N2-O2.2Cl-H

Molecular Weight

  • 397.3434
 
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Names and Synonyms

  • 4-Cyclohexene-1,2-diol, 3,6-bis((phenylmethyl)amino)-, dihydrochloride, (1-alpha,2-beta,3-alpha,6-beta)-

Registry Numbers

CAS Registry Number

  • 137866-76-3

System Generated Number

  • 0137866763

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.2Cl-H

Molecular Formula Fragments

  • C20-H24-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N2O2.2ClH/c23-19-17(21-13-15-7-3-1-4-8-15)11-12-18(20(19)24)22-14-16-9-5-2-6-10-16;;/h1-12,17-24H,13-14H2;2*1H/t17-,18-,19+,20+;;/m1../s1

InChIKey

BUPOPSWIQULWOM-LRYKGSQRSA-N

Smiles

c1ccc(cc1)CN[C@@H]2C=C[C@H]([C@@H]([C@H]2O)O)NCc3ccccc3.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 146mg/kg (146mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 632, 1991.