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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:7003 - morphine sulfate
Main
ChEBI Ontology
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ChEBI Name
morphine sulfate
ChEBI ID
CHEBI:7003
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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SDF
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Molfile
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
View more database links
Registry Number
Type
Source
64-31-3
CAS Registry Number
ChemIDplus
Last Modified
30 September 2008