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(Q72488193)
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English
Manidipine
chemical compound
2-(4-(Diphenylmethyl)-1-piperazinyl)-ethyl methyl (-)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical formula
C₃₅H₃₈N₄O₆
0 references
canonical SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3
0 references
InChIKey
ANEBWFXPVPTEET-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
120092-68-4
0 references
ChEBI ID
135849
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3
SureChEMBL ID
SCHEMBL49368
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ANEBWFXPVPTEET-UHFFFAOYSA-N
DrugBank ID
DB09238
1 reference
matched by identifier from
InChIKey
InChIKey
ANEBWFXPVPTEET-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0254323
1 reference
matched by identifier from
InChIKey
InChIKey
ANEBWFXPVPTEET-UHFFFAOYSA-N
UNII
6O4754US88
1 reference
matched by identifier from
InChIKey
InChIKey
ANEBWFXPVPTEET-UHFFFAOYSA-N
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