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Substance Name: 4-Cyclohexene-1,2-diol, 3,6-bis(diethylamino)-, dihydrochloride, (1-alpha,2-beta,3-alpha,6-beta)-
RN: 137866-72-9
InChIKey: YVKSMWJOZJZYEO-PYOUUUKNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H28-N2-O2.2Cl-H

Molecular Weight

  • 329.309
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 137866-72-9

System Generated Number

  • 0137866729

Molecular Formulas

Molecular Formula

  • C14-H28-N2-O2.2Cl-H

Molecular Formula Fragments

  • C14-H28-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H28N2O2.2ClH/c1-5-15(6-2)11-9-10-12(14(18)13(11)17)16(7-3)8-4;;/h9-14,17-18H,5-8H2,1-4H3;2*1H/t11-,12-,13+,14+;;/m1../s1

InChIKey

YVKSMWJOZJZYEO-PYOUUUKNSA-N

Smiles

CCN(CC)[C@@H]1C=C[C@H]([C@@H]([C@H]1O)O)N(CC)CC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1470mg/kg (1470mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 632, 1991.