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Substance Name: 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride
RN: 28143-75-1
InChIKey: CXNDUTSUJZVOIT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H37-N2-O2.2Cl-H

Molecular Weight

  • 507.542
 
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Names and Synonyms

  • 4-Piperidinol, 5-(hexahydro-1H-azepinylmethyl)-4-phenyl-1,2,5-trimethyl-, benzoate, dihydrochloride

Registry Numbers

CAS Registry Number

  • 28143-75-1

System Generated Number

  • 0028143751

Molecular Formulas

Molecular Formula

  • C28-H37-N2-O2.2Cl-H

Molecular Formula Fragments

  • C28-H37-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H38N2O2.2ClH/c1-23-20-28(25-16-10-7-11-17-25,32-26(31)24-14-8-6-9-15-24)27(2,21-29(23)3)22-30-18-12-4-5-13-19-30;;/h6-11,14-17,23H,4-5,12-13,18-22H2,1-3H3;2*1H

InChIKey

CXNDUTSUJZVOIT-UHFFFAOYSA-N

Smiles

C(=O)(O[C@@]1(C[C@@H]([N@@](C[C@@]1(C)CN1CCCCCC1)C)C)c1ccccc1)c1ccccc1.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 629mg/kg (629mg/kg)   Russian Pharmacology and Toxicology Vol. 37, Pg. 108, 1974.