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Substance Name: 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-piperidinopropyl)-, propionate (ester), ditartrate,hemihydrate
RN: 54522-01-9
InChIKey: ADQSWXOUXFHWQC-ZYYAQZALSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H38-N2-O2.2C4-H6-O6.1/2H2-O

Molecular Weight

  • 686.747
 
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Names and Synonyms

Synonym

  • 4-Piperidinol, 2,5-dimethyl-4-phenyl-1-(3-piperidinopropyl)-, propanoate (ester), ditartrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 54522-01-9

System Generated Number

  • 0054522019

Molecular Formulas

Molecular Formula

  • C24-H38-N2-O2.2C4-H6-O6.1/2H2-O

Molecular Formula Fragments

  • C24-H38-N2-O2
  • C4-H6-O6
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H38N2O2.2C4H6O6/c1-4-23(27)28-24(22-12-7-5-8-13-22)18-21(3)26(19-20(24)2)17-11-16-25-14-9-6-10-15-25;2*5-1(3(7)8)2(6)4(9)10/h5,7-8,12-13,20-21H,4,6,9-11,14-19H2,1-3H3;2*1-2,5-6H,(H,7,8)(H,9,10)/t;2*1-,2-/m.00/s1

InChIKey

ADQSWXOUXFHWQC-ZYYAQZALSA-N

Smiles

CCC(=O)OC1(CC(N(CC1C)CCCN2CCCCC2)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 245mg/kg (245mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

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