CHEBI:31800 - Manidipine dihydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Manidipine dihydrochloride
ChEBI ID CHEBI:31800
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C35H38N4O6.2HCl
C35H40Cl2N4O6
Net Charge 0
Average Mass 683.623
Monoisotopic Mass 682.23249
InChI InChI=1S/C35H38N4O6.2ClH/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;2*1H
InChIKey JINNGBXKBDUGQT-UHFFFAOYSA-N
SMILES C=1C=C(C=C(C2C(=C(NC(=C2C(=O)OCCN3CCN(C(C4=CC=CC=C4)C5=CC=CC=C5)CC3)C)C)C(=O)OC)C1)[N+](=O)[O-].Cl.Cl
ChEBI Ontology
Outgoing Manidipine dihydrochloride (CHEBI:31800) is a diarylmethane (CHEBI:51614)
Synonyms Sources
Calslot (TN) KEGG COMPOUND
Manidipine dihydrochloride KEGG COMPOUND
Manidipine hydrochloride KEGG COMPOUND
Manual Xref Database
D01553 KEGG DRUG
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Registry Number Type Source
89226-75-5 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017