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Substance Name: Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate
RN: 94946-40-4
InChIKey: KNGLVMKTPMMWOL-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H19-N2-O2.Br

Molecular Weight

  • 279.176
 
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Names and Synonyms

Synonyms

  • (3-Cyanopropyl)(2-hydroxyethyl)dimethylammonium bromide acetate
  • 2531 I.S.

Systematic Name

  • Ammonium, (3-cyanopropyl)(2-hydroxyethyl)dimethyl-, bromide, acetate

Registry Numbers

CAS Registry Number

  • 94946-40-4

System Generated Number

  • 0094946404

Molecular Formulas

Molecular Formula

  • C10-H19-N2-O2.Br

Molecular Formula Fragments

  • Br
  • C10-H19-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C10H19N2O2.BrH/c1-10(13)14-9-8-12(2,3)7-5-4-6-11;/h4-5,7-9H2,1-3H3;1H/q+1;/p-1

InChIKey

KNGLVMKTPMMWOL-UHFFFAOYSA-M

Smiles

C([N+](CCCC#N)(C)C)COC(C)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION Farmaco, Edizione Scientifica. Vol. 17, Pg. 753, 1962.