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Substance Name: 4-Cyclohexene-1,2-diol, 3,6-di-1-pyrrolidinyl-, dihydrochloride, (1-alpha,2-beta,3-alpha,6-beta)-
RN: 137866-73-0
InChIKey: HBFLZFAXXNQMOI-PYOUUUKNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H24-N2-O2.2Cl-H

Molecular Weight

  • 325.2774
 
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Names and Synonyms

  • 4-Cyclohexene-1,2-diol, 3,6-di-1-pyrrolidinyl-, dihydrochloride, (1-alpha,2-beta,3-alpha,6-beta)-

Registry Numbers

CAS Registry Number

  • 137866-73-0

System Generated Number

  • 0137866730

Molecular Formulas

Molecular Formula

  • C14-H24-N2-O2.2Cl-H

Molecular Formula Fragments

  • C14-H24-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H24N2O2.2ClH/c17-13-11(15-7-1-2-8-15)5-6-12(14(13)18)16-9-3-4-10-16;;/h5-6,11-14,17-18H,1-4,7-10H2;2*1H/t11-,12-,13+,14+;;/m1../s1

InChIKey

HBFLZFAXXNQMOI-PYOUUUKNSA-N

Smiles

C1CCN(C1)[C@@H]2C=C[C@H]([C@@H]([C@H]2O)O)N3CCCC3.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1285mg/kg (1285mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 632, 1991.