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Substance Name: 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-morpholinopropyl)-, propionate (ester), ditartrate, dihydrate
RN: 54522-03-1
InChIKey: OPXBXYQCXGROTA-ZYYAQZALSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H36-N2-O3.2C4-H6-O6.2H2-O

Molecular Weight

  • 688.7192
 
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Names and Synonyms

Synonyms

  • 4-Piperidinol, 2,5-dimethyl-1-(3-(4-morpholinyl)propyl)-4-phenyl-, propanoate ditartrate
  • Piperidine, 2,5-dimethyl-1-morpholinopropyl-4-phenyl-4-propionyloxy-, ditartrate, dihydrate

Systematic Name

  • 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-morpholinopropyl)-, propionate (ester), ditartrate, dihydrate

Registry Numbers

CAS Registry Number

  • 54522-03-1

System Generated Number

  • 0054522031

Molecular Formulas

Molecular Formula

  • C23-H36-N2-O3.2C4-H6-O6.2H2-O

Molecular Formula Fragments

  • C23-H36-N2-O3
  • C4-H6-O6
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H36N2O3.2C4H6O6/c1-4-22(26)28-23(21-9-6-5-7-10-21)17-20(3)25(18-19(23)2)12-8-11-24-13-15-27-16-14-24;2*5-1(3(7)8)2(6)4(9)10/h5-7,9-10,19-20H,4,8,11-18H2,1-3H3;2*1-2,5-6H,(H,7,8)(H,9,10)/t;2*1-,2-/m.00/s1

InChIKey

OPXBXYQCXGROTA-ZYYAQZALSA-N

Smiles

CCC(=O)OC1(CC(N(CC1C)CCCN2CCOCC2)C)c3ccccc3.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

AUTONOMIC NERVOUS SYSTEM: PARASYMPATHOLYTIC
Pharmaceutical Chemistry Journal Vol. 8, Pg. 597, 1974.