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Substance Name: Pirralkonium bromide [INN]
RN: 17243-65-1
UNII: 6WVM5HPV4T
InChIKey: XFVMOBHZJPHMOI-UHFFFAOYSA-M

Molecular Formula

  • C35-H72-Br-N3

Molecular Weight

  • 614.8788
 
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Names and Synonyms

Name of Substance

  • Pirralkonium bromide [INN]

Synonyms

  • Bis(3-(2,5-dimethyl-1-pyrrolidinyl)propyl)hexadecylmethylammonium bromide
  • Pirralkonium bromide
  • UNII-6WVM5HPV4T

Systematic Name

  • Bis(3-(2,5-dimethyl-1-pyrrolidinyl)propyl)hexadecylmethylammonium bromide

Registry Numbers

CAS Registry Number

  • 17243-65-1

FDA UNII

  • 6WVM5HPV4T

System Generated Number

  • 0017243651

Structure Descriptors

InChI

1S/C35H72N3.BrH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-38(6,30-21-27-36-32(2)23-24-33(36)3)31-22-28-37-34(4)25-26-35(37)5;/h32-35H,7-31H2,1-6H3;1H/q+1;/p-1

InChIKey

XFVMOBHZJPHMOI-UHFFFAOYSA-M

Smiles

CCCCCCCCCCCCCCCC[N+](C)(CCCN1C(CCC1C)C)CCCN2C(CCC2C)C.[Br-]