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CHEBI:233047 - atropine sulfate

ChEBI IDCHEBI:233047
ChEBI Nameatropine sulfate
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SubmitterFlyBase
DownloadsMolfile
Formula2C17H23NO3.H2O4S
Net Charge0
Average Mass676.829
Monoisotopic Mass676.30297
SMILESO=S(=O)(O)O.[H]C1(OC(=O)C([H])(CO)c2ccccc2)C[C@]2([H])CC[C@]([H])(C1)N2C.[H]C1(OC(=O)C([H])(CO)c2ccccc2)C[C@]2([H])CC[C@]([H])(C1)N2C
InChIInChI=1S/2C17H23NO3.H2O4S/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t2*13-,14+,15?,16?;
InChIKeyHOBWAPHTEJGALG-JKCMADFCSA-N
Roles Classification
Biological Role:
muscarinic agonist  Any drug that binds to and activates a muscarinic cholinergic receptor.
Application:
muscarinic agonist  Any drug that binds to and activates a muscarinic cholinergic receptor.
ChEBI Ontology
Outgoing Relation(s)
atropine sulfate (CHEBI:233047) has functional parent atropine (CHEBI:16684)
atropine sulfate (CHEBI:233047) has role muscarinic agonist (CHEBI:38325)
atropine sulfate (CHEBI:233047) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;sulfuric acid
Registry NumbersSources
CAS:55-48-1SUBMITTER
Citations