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Substance Name: Butylscopolamine
RN: 7182-53-8
UNII: 2Z3E1OF81V
InChIKey: YBCNXCRZPWQOBR-WVHCHWADSA-N

Note

  • Antimuscarinic quaternary ammonium derivative of scopolamine used to treat cramps in gastrointestinal, urinary, uterine, and biliary tracts, and to facilitate radiologic visualization of the gastrointestinal tract.

Molecular Formula

  • C21-H30-N-O4

Molecular Weight

  • 360.471
 

Classification Codes

  • Autonomic Agents
  • Cholinergic Agents
  • Cholinergic Antagonists
  • Muscarinic Antagonists
  • Neurotransmitter Agents
  • Parasympatholytics
  • Peripheral Nervous System Agents
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Names and Synonyms

Name of Substance

  • Butylscopolamine

MeSH Heading

  • Butylscopolammonium Bromide

Synonyms

  • (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-9-Butyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-3-oxa-9-azonitricyclo(3.3.1.0(2,4))nonane
  • Butylscopolamine
  • HSDB 7642
  • UNII-2Z3E1OF81V

Systematic Name

  • 3-Oxa-9-azonitricyclo(3.3.1.0(2,4))nonane, 9-butyl-7-(3-hydroxy-1-oxo-2-phenylpropoxy)-9-methyl-, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-

Registry Numbers

CAS Registry Number

  • 7182-53-8

FDA UNII

  • 2Z3E1OF81V

System Generated Number

  • 0007182538

Structure Descriptors

InChI

1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15-,16-,17-,18+,19-,20+,22?/m1/s1

InChIKey

YBCNXCRZPWQOBR-WVHCHWADSA-N

Smiles

CCCC[N+]1(C)[C@@H]2CC(C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4