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Substance Name: Heteronium bromide [USAN:INN:BAN]
RN: 7247-57-6
UNII: B41610WX8O
InChIKey: SHPIBZXFYWMQBR-UHFFFAOYSA-M

Classification Codes

  • Anticholinergic
  • Drug / Therapeutic Agent

Molecular Formulas

  • C18-H22-Br-N-O3-S
  • C18-H22-N-O3-S.Br

Molecular Weight

  • 412.346
 
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Names and Synonyms

Name of Substance

  • Heteronium
  • Heteronium bromide [USAN:INN:BAN]

Synonyms

  • (+-)-3-Hydroxy-1,1-dimethylpyrrolidinium bromide alpha-phenyl-2-thiopheneglycolate
  • 1,1-Dimethyl-3-(alpha-(2-thienyl)mandeloyloxy)pyrrolidinium bromid
  • 1-Methyl-3-pyrrolidyl phenyl-2-thienylglycolate methobromide
  • 31814
  • alpha+beta-(+-)-(1-Methyl-3-pyrrolidinyl) alpha-phenyl-alpha-(2-thienyl)glycolate methobromide
  • Bromure d'heteronium
  • Bromure d'heteronium [INN-French]
  • Bromuro de heteronio
  • Bromuro de heteronio [INN-Spanish]
  • Heteronii bromidum
  • Heteronii bromidum [INN-Latin]
  • Heteronium bromide
  • Hetrum bromide
  • LY 31814
  • Pyrrolidinium, 3-((hydroxyphenyl-2-thienylacetyl)oxy)-1,1-dimethyl-, bromide
  • UNII-B41610WX8O

Systematic Names

  • Pyrrolidinium, 3-((hydroxyphenyl-2-thienylacetyl)oxy)-1,1-dimethyl-, bromide
  • Pyrrolidinium, 3-hydroxy-1,1-dimethyl-, bromide, alpha-phenyl-2-thiopheneglycolate

Registry Numbers

CAS Registry Number

  • 7247-57-6

FDA UNII

  • B41610WX8O

Other Registry Number

  • 1042-00-8

System Generated Number

  • 0007247576

Molecular Formulas

Molecular Formulas

  • C18-H22-Br-N-O3-S
  • C18-H22-N-O3-S.Br

Molecular Formula Fragments

  • Br
  • C18-H22-N-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C18H22NO3S.BrH/c1-19(2)11-10-15(13-19)22-17(20)18(21,16-9-6-12-23-16)14-7-4-3-5-8-14;/h3-9,12,15,21H,10-11,13H2,1-2H3;1H/q+1;/p-1

InChIKey

SHPIBZXFYWMQBR-UHFFFAOYSA-M

Smiles

C1[C@@H](OC([C@@](O)(c2ccccc2)c2cccs2)=O)C[N+](C1)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 3576mg/kg (3576mg/kg)   Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.480 (none)   EST
Atmospheric OH Rate Constant 4.55E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.