CHEBI:7003 - morphine sulfate

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ChEBI Name morphine sulfate
ChEBI ID CHEBI:7003
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae 2C17H19NO3.H2O4S
C34H38N2O6.H2O4S
C34H40N2O10S
Net Charge 0
Average Mass 668.75488
Monoisotopic Mass 668.24037
InChI InChI=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
InChIKey USAHOPJHPJHUNS-IFCNUISUSA-N
SMILES OS(O)(=O)=O.[H][C@]12C=C[C@H](O)[C@@H]3Oc4c(O)ccc5C[C@H]1N(C)CC[C@@]23c45.[H][C@]12C=C[C@H](O)[C@@H]3Oc4c(O)ccc5C[C@H]1N(C)CC[C@@]23c45
ChEBI Ontology
Outgoing 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 Xref Database
DB00295 DrugBank
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Registry Number Type Source
64-31-3 CAS Registry Number ChemIDplus
Last Modified
30 September 2008