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Substance Name: 4-Piperidinol, 2,5-dimethyl-1-(2-(4-methyl-1-piperazinyl)ethyl)-4-phenyl-, propionate (ester),tritartrate, dihydrate
RN: 102071-57-8
InChIKey: CDDGRFAOGRZYJK-NOKJQLKVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H37-N3-O2.3C4-H6-O6.2H2-O

Molecular Weight

  • 837.8205
 
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Names and Synonyms

  • 4-Piperidinol, 2,5-dimethyl-1-(2-(4-methyl-1-piperazinyl)ethyl)-4-phenyl-, propionate (ester),tritartrate, dihydrate

Registry Numbers

CAS Registry Number

  • 102071-57-8

System Generated Number

  • 0102071578

Molecular Formulas

Molecular Formula

  • C23-H37-N3-O2.3C4-H6-O6.2H2-O

Molecular Formula Fragments

  • C23-H37-N3-O2
  • C4-H6-O6
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H37N3O2.3C4H6O6/c1-5-22(27)28-23(21-9-7-6-8-10-21)17-20(3)26(18-19(23)2)16-15-25-13-11-24(4)12-14-25;3*5-1(3(7)8)2(6)4(9)10/h6-10,19-20H,5,11-18H2,1-4H3;3*1-2,5-6H,(H,7,8)(H,9,10)/t;3*1-,2-/m.111/s1

InChIKey

CDDGRFAOGRZYJK-NOKJQLKVSA-N

Smiles

CCC(=O)OC1(CC(N(CC1C)CCN2CCN(CC2)C)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.[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 intravenous 590mg/kg (590mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

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