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Substance Name: Halopenium chloride [INN:BAN]
RN: 7008-13-1
UNII: RT6K0322Q7
InChIKey: ISVREOQRBYZKHL-UHFFFAOYSA-M

Molecular Formula

  • C22-H30-Br-Cl2-N-O

Molecular Weight

  • 475.295
 
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Names and Synonyms

Name of Substance

  • Halopenium chloride [INN:BAN]

Synonyms

  • 4-Bromobenzyl(3-(4-chloro-5-methyl-2-isopropylphenoxy)propyl)dimethylammonium chloride
  • Chlorure d'halopenium
  • Chloruro de halopenio
  • Halopenii chloridum
  • Halopenium chloride
  • UNII-RT6K0322Q7

Systematic Name

  • 4-Bromobenzyl(3-(4-chloro-5-methyl-2-isopropylphenoxy)propyl)-dimethylammonium chloride

Registry Numbers

CAS Registry Number

  • 7008-13-1

FDA UNII

  • RT6K0322Q7

System Generated Number

  • 0007008131

Structure Descriptors

InChI

1S/C22H30BrClNO.ClH/c1-16(2)20-14-21(24)17(3)13-22(20)26-12-6-11-25(4,5)15-18-7-9-19(23)10-8-18;/h7-10,13-14,16H,6,11-12,15H2,1-5H3;1H/q+1;/p-1

InChIKey

ISVREOQRBYZKHL-UHFFFAOYSA-M

Smiles

[N+](C)(C)(CCCOc1c(cc(c(c1)C)Cl)C(C)C)Cc1ccc(cc1)Br.[ClH-]