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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:31769 - Lemildipine
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ChEBI Ontology
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ChEBI Name
Lemildipine
ChEBI ID
CHEBI:31769
Stars
This entity has been manually annotated by a third party.
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Formulae
C20H22Cl2N2O6
C20H22Cl2N2O6
Net Charge
0
Average Mass
457.305
Monoisotopic Mass
456.08549
InChI
InChI=1S/C20H22Cl2N2O6/c1-
9(2)
30-
19(26)
16-
13(8-
29-
20(23)
27)
24-
10(3)
14(18(25)
28-
4)
15(16)
11-
6-
5-
7-
12(21)
17(11)
22/h5-
7,9,15,24H,8H2,1-
4H3,(H2,23,27)
InChIKey
WTOVRSWDBLIFHU-UHFFFAOYSA-N
SMILES
C1(C2=C(C(=CC=C2)Cl)Cl)C(=C(NC(=C1C(OC(C)C)=O)COC(N)=O)C)C(OC)=O
ChEBI Ontology
Outgoing
Lemildipine (
CHEBI:31769
)
is a
dihydropyridine (
CHEBI:50075
)
Lemildipine (
CHEBI:31769
)
is a
isopropyl ester (
CHEBI:35725
)
Lemildipine (
CHEBI:31769
)
is a
methyl ester (
CHEBI:25248
)
Synonym
Source
Lemildipine
KEGG COMPOUND
Manual Xref
Database
D01151
KEGG DRUG
View more database links
Registry Number
Type
Source
125729-29-5
CAS Registry Number
KEGG COMPOUND
Last Modified
09 March 2018