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CHEBI:50731 - morphine sulfate pentahydrate

ChEBI IDCHEBI:50731
ChEBI Namemorphine sulfate pentahydrate
Stars
Last Modified30 September 2008
SubmitterMarcus Ennis
DownloadsMolfile
Formula2C17H19NO3.5H2O.H2O4S
Net Charge0
Average Mass758.840
Monoisotopic Mass758.29319
SMILESO=S(=O)(O)O.[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H][C@@]12C=C[C@H](O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5.[H][C@@]12C=C[C@H](O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIInChI=1S/2C17H19NO3.H2O4S.5H2O/c2*1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4;;;;;/h2*2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4);5*1H2/t2*10-,11+,13-,16-,17-;;;;;;/m00....../s1
InChIKeyGRVOTVYEFDAHCL-RTSZDRIGSA-N
ChEBI Ontology
Outgoing Relation(s)
morphine sulfate pentahydrate (CHEBI:50731) has part morphine (CHEBI:17303)
morphine sulfate pentahydrate (CHEBI:50731) is a alkaloid sulfate salt (CHEBI:38013)
morphine sulfate pentahydrate (CHEBI:50731) is a hydrate (CHEBI:35505)
IUPAC Name 
17-methyl-7,8-didehydro-4,5α-epoxymorphinan-3,6-diol sulfate (2:1) pentahydrate
Synonyms  Source
Morphine sulfate hydrateKEGG DRUG
Di(morphine) dihydrogen sulfate pentahydrateChemIDplus
Brand Names  Source
Astramorph PFDrugBank
AvinzaDrugBank
DepoDurDrugBank
Duramorph PFDrugBank
KadianDrugBank
M-EslonDrugBank
Manual XrefsDatabases
D00842KEGG DRUG
DB00295DrugBank
Registry NumbersSources
CAS:6211-15-0ChemIDplus