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CHEBI:7003 - morphine sulfate

ChEBI IDCHEBI:7003
ChEBI Namemorphine sulfate
Stars
Last Modified30 September 2008
DownloadsMolfile
Formula2C17H19NO3.H2O4S
Net Charge0
Average Mass668.765
Monoisotopic Mass668.24037
SMILESO=S(=O)(O)O.[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/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)/t2*10-,11+,13-,16-,17-;/m00./s1
InChIKeyUSAHOPJHPJHUNS-IFCNUISUSA-N
ChEBI Ontology
Outgoing Relation(s)
morphine sulfate (CHEBI:7003) has part morphine (CHEBI:17303)
morphine sulfate (CHEBI:7003) is a alkaloid sulfate salt (CHEBI:38013)
IUPAC Name 
17-methyl-7,8-didehydro-4,5α-epoxymorphinan-3,6-diol sulfate (2:1)
Manual XrefsDatabases
DB00295DrugBank
Registry NumbersSources
CAS:64-31-3ChemIDplus