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Substance Name: 4-Cyclohexene-1,2-diol, 3,6-bis(phenylamino)-, dihydrochloride, (1-alpha,2-beta,3-alpha,6-beta)-
RN: 137866-75-2
InChIKey: LTEOQUHDWHAEEG-IMUYSXADSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N2-O2.2Cl-H

Molecular Weight

  • 369.2898
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 137866-75-2

System Generated Number

  • 0137866752

Molecular Formulas

Molecular Formula

  • C18-H20-N2-O2.2Cl-H

Molecular Formula Fragments

  • C18-H20-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H20N2O2.2ClH/c21-17-15(19-13-7-3-1-4-8-13)11-12-16(18(17)22)20-14-9-5-2-6-10-14;;/h1-12,15-22H;2*1H/t15-,16-,17+,18+;;/m1../s1

InChIKey

LTEOQUHDWHAEEG-IMUYSXADSA-N

Smiles

c1ccc(cc1)N[C@@H]2C=C[C@H]([C@@H]([C@H]2O)O)Nc3ccccc3.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 263mg/kg (263mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 632, 1991.