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ChEBI
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CHEBI:31867 - mosapride citrate dihydrate
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ChEBI Ontology
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ChEBI Name
mosapride citrate dihydrate
ChEBI ID
CHEBI:31867
Stars
This entity has been manually annotated by a third party.
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Formula
C27H37ClFN3O12
Net Charge
0
Average Mass
650.048
Monoisotopic Mass
649.20498
InChI
InChI=1S/C21H25ClFN3O3.C6H8O7.2H2O/c1-
2-
28-
20-
10-
19(24)
18(22)
9-
17(20)
21(27)
25-
11-
16-
13-
26(7-
8-
29-
16)
12-
14-
3-
5-
15(23)
6-
4-
14;7-
3(8)
1-
6(13,5(11)
12)
2-
4(9)
10;;/h3-
6,9-
10,16H,2,7-
8,11-
13,24H2,1H3,(H,25,27)
;13H,1-
2H2,(H,7,8)
(H,9,10)
(H,11,12)
;2*1H2
InChIKey
KVKIQHMTGSGTFO-UHFFFAOYSA-N
SMILES
O.O.OC(=O)CC(O)(CC(O)=O)C(O)=O.CCOC1=CC(N)=C(Cl)C=C1C(=O)NCC1CN(CC2=CC=C(F)C=C2)CCO1
ChEBI Ontology
Outgoing
mosapride citrate dihydrate (
CHEBI:31867
)
is a
hydrate (
CHEBI:35505
)
Synonyms
Sources
AS 4370
KEGG COMPOUND
Gasmotin (TN)
KEGG COMPOUND
mosapride citrate hydrate
KEGG DRUG
Manual Xrefs
Databases
C13494
KEGG COMPOUND
D01994
KEGG DRUG
View more database links
Registry Number
Type
Source
636582-62-2
CAS Registry Number
ChemIDplus
Last Modified
19 January 2021