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Substance Name: 1-(2-Chlorophenyl)-N-(1-methylpropyl)-N-(4-butyl-(N,N-dimethylamino)-3-isoquinolinecarboxamide)methyl iodide
RN: 136794-32-6
InChIKey: ADBZYGNATSWZRE-UHFFFAOYSA-M

Note

  • Benzodiazepine receptor ligand.

Molecular Formula

  • C27-H35-Cl-N3-O.I

Molecular Weight

  • 579.946
 
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Names and Synonyms

Name of Substance

  • 1-(2-Chlorophenyl)-N-(1-methylpropyl)-N-(4-butyl-(N,N-dimethylamino)-3-isoquinolinecarboxamide)methyl iodide

Synonym

  • PQM-4

Systematic Name

  • 1-Butanaminium, 4-(((1-(2-chlorophenyl)-3-isoquinolinyl)carbonyl)(1-methylpropyl)amino)-N,N,N-trimethyl-, iodide

Registry Numbers

CAS Registry Number

  • 136794-32-6

System Generated Number

  • 0136794326

Molecular Formulas

Molecular Formula

  • C27-H35-Cl-N3-O.I

Molecular Formula Fragments

  • C27-H35-Cl-N3-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C27H35ClN3O.HI/c1-6-20(2)30(17-11-12-18-31(3,4)5)27(32)25-19-21-13-7-8-14-22(21)26(29-25)23-15-9-10-16-24(23)28;/h7-10,13-16,19-20H,6,11-12,17-18H2,1-5H3;1H/q+1;/p-1

InChIKey

ADBZYGNATSWZRE-UHFFFAOYSA-M

Smiles

C(CCCN([C@@H](CC)C)C(=O)c1nc(c2ccccc2c1)c1c(cccc1)Cl)[N+](C)(C)C.[IH-]