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Concept information

Preferred term

متوبرومید اسکوپولامین  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C18H24BrNO4

has_functional_parent

inchi

  • InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12-,13-,14-,15+,16-,17+;/m1./s1

inchikey

  • CXYRUNPLKGGUJF-RAFJPFSSSA-M

mass

  • 398.29100

monoisotopicmass

  • 397.08887

smiles

  • [Br-].C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1

subset

  • 3_STAR

synonym EXACT

  • (1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:61276

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