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CHEBI:28486 - hyoscyamine sulfate dihydrate

ChEBI IDCHEBI:28486
ChEBI Namehyoscyamine sulfate dihydrate
Stars
Secondary ChEBI IDsCHEBI:5830, CHEBI:24755
Last Modified6 March 2017
DownloadsMolfile
Formula2C17H23NO3.2H2O.H2O4S
Net Charge0
Average Mass712.859
Monoisotopic Mass712.32410
SMILESO.O.O=S(=O)(O)O.[H][C@]12CC[C@]([H])(C[C@H](OC(=O)[C@H](CO)c3ccccc3)C1)N2C.[H][C@]12CC[C@]([H])(C[C@H](OC(=O)[C@H](CO)c3ccccc3)C1)N2C
InChIInChI=1S/2C17H23NO3.H2O4S.2H2O/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);2*1H2/t2*13-,14+,15+,16-;;;/m11.../s1
InChIKeyBXSVDJUWKSRQMD-ITMJLNKNSA-N
ChEBI Ontology
Outgoing Relation(s)
hyoscyamine sulfate dihydrate (CHEBI:28486) has functional parent atropine (CHEBI:16684)
hyoscyamine sulfate dihydrate (CHEBI:28486) is a alkaloid sulfate salt (CHEBI:38013)
Synonym  Source
Hyoscyamine sulfate dihydrateKEGG COMPOUND
Manual XrefsDatabases
D00719KEGG DRUG
Registry NumbersSources
CAS:6835-16-1KEGG COMPOUND
CAS:6835-16-1ChemIDplus