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Substance Name: Isoquinolinium, 3,4-dihydro-1-(3-cyanopropyl)-2,3,3-trimethyl-, iodide
RN: 121064-27-5
InChIKey: CBVPCKKDCBAJFO-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N2.I

Molecular Weight

  • 368.2559
 
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Names and Synonyms

Synonym

  • 3,4-Dihydro-1-(3-cyanopropyl)-2,3,3-trimethylisoquinolinium iodide

Systematic Name

  • Isoquinolinium, 3,4-dihydro-1-(3-cyanopropyl)-2,3,3-trimethyl-, iodide

Registry Numbers

CAS Registry Number

  • 121064-27-5

System Generated Number

  • 0121064275

Molecular Formulas

Molecular Formula

  • C16-H21-N2.I

Molecular Formula Fragments

  • C16-H21-N2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C16H21N2.HI/c1-16(2)12-13-8-4-5-9-14(13)15(18(16)3)10-6-7-11-17;/h4-5,8-9H,6-7,10,12H2,1-3H3;1H/q+1;/p-1

InChIKey

CBVPCKKDCBAJFO-UHFFFAOYSA-M

Smiles

CC1(Cc2ccccc2C(=[N+]1C)CCCC#N)C.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 133, 1989.