moexipril   Click here for help

GtoPdb Ligand ID: 6571

Synonyms: RS-10085 | SPM-925 | Univasc®
Approved drug
moexipril is an approved drug (FDA (1995))
Compound class: Synthetic organic
Comment: ACE inhibitor prodrug metabolised to moexiprilat. This compound has hydrochloride database entries such as CID 54889 and nine isomers in PubChem.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 114.4
Molecular weight 498.24
XLogP 2.72
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCOC(=O)C(NC(C(=O)N1Cc2cc(OC)c(cc2CC1C(=O)O)OC)C)CCc1ccccc1
Isomeric SMILES CCOC(=O)[C@@H](N[C@H](C(=O)N1Cc2cc(OC)c(cc2C[C@H]1C(=O)O)OC)C)CCc1ccccc1
InChI InChI=1S/C27H34N2O7/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32)/t17-,21-,22-/m0/s1
InChI Key UWWDHYUMIORJTA-HSQYWUDLSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1995))
Is prodrug? Yes
Active form moexiprilat
IUPAC Name Click here for help
(3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
6266 moexipril
Synonyms Click here for help
RS-10085 | SPM-925 | Univasc®
Database Links Click here for help
CAS Registry No. 103775-10-6 (source: Scifinder)
ChEMBL Ligand CHEMBL1165
DrugBank Ligand DB00691
DrugCentral Ligand 1827
GtoPdb PubChem SID 178103185
PubChem CID 91270
Search Google for chemical match using the InChIKey UWWDHYUMIORJTA-HSQYWUDLSA-N
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Search UniChem for chemical match using the InChIKey UWWDHYUMIORJTA-HSQYWUDLSA-N
Search UniChem for chemicals with the same backbone UWWDHYUMIORJTA
Wikipedia Moexipril