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Substance Name: Propanethioamide, N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)-, (E)-2-butenedioate (1:1)
RN: 130820-45-0
InChIKey: VEBURELTIZVSQL-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-S.C4-H4-O4

Molecular Weight

  • 468.6148
 
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Names and Synonyms

Synonyms

  • N-Phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)propanethioamide (E)-2-butenedioate (1:1)
  • RTECS UD7504000

Systematic Name

  • Propanethioamide, N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)-, (E)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 130820-45-0

System Generated Number

  • 0130820450

Molecular Formulas

Molecular Formula

  • C22-H28-N2-S.C4-H4-O4

Molecular Formula Fragments

  • C22-H28-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28N2S.C4H4O4/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;5-3(6)1-2-4(7)8/h3-12,21H,2,13-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

VEBURELTIZVSQL-WLHGVMLRSA-N

Smiles

CCC(=S)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 27mg/kg (27mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1828, 1990.