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Substance Name: Pinaverium bromide [INN]
RN: 53251-94-8
UNII: 7SCF54H12J
InChIKey: IKGXLCMLVINENI-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C26-H41-Br-N-O4.Br
  • C26-H41-Br2-N-O4

Molecular Weight

  • 591.421
 
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Names and Synonyms

Name of Substance

  • Pinaverium bromide
  • Pinaverium bromide [INN]

Synonyms

  • 4-(6-Bromoveratryl)-4-(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)morpholinium bromide
  • Bromure de pinaverium
  • Bromure de pinaverium [INN-French]
  • Bromuro de pinaverio
  • Bromuro de pinaverio [INN-Spanish]
  • Dicetel
  • EINECS 258-450-0
  • LAT 1717
  • Pinaverii bromidum
  • Pinaverii bromidum [INN-Latin]
  • Pinaverium bromide
  • UNII-7SCF54H12J

Systematic Names

  • 4-(6-Bromoveratryl)-4-(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)morpholinium bromide
  • Morpholinium, 4-(2-bromo-4,5-dimethoxy)benzyl-4-(2-(2-(6,6-dimethyl-2-norpinyl)ethoxy)ethyl)-, bromide
  • Pinaverium bromide

Registry Numbers

CAS Registry Number

  • 53251-94-8

FDA UNII

  • 7SCF54H12J

Related Registry Number

  • 59995-65-2 (Parent)

System Generated Number

  • 0053251948

Molecular Formulas

Molecular Formulas

  • C26-H41-Br-N-O4.Br
  • C26-H41-Br2-N-O4

Molecular Formula Fragments

  • Br
  • C26-H41-Br-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H41BrNO4.BrH/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27;/h15,17,19,21-22H,5-14,16,18H2,1-4H3;1H/q+1;/p-1

InChIKey

IKGXLCMLVINENI-UHFFFAOYSA-M

Smiles

[N+]1(Cc2cc(c(OC)cc2Br)OC)(CCOCC1)CCOCC[C@@H]1[C@@H]2C([C@@H](C2)CC1)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 37mg/kg (37mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 182, 1974.
mouse LD50 subcutaneous 504mg/kg (504mg/kg)   Annales Pharmaceutiques Francaises. Vol. 40, Pg. 133, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 181 deg C   EXP
log P (octanol-water) 4.660 (none)   EST
Atmospheric OH Rate Constant 1.55E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.