SPIRAPRIL HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII OCC25LM897
EPA CompTox DTXSID6044272

Structure

InChI Key CLDOLNORSLLQDI-OOAIBONUSA-N
Smiles CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2.Cl
InChI
InChI=1S/C22H30N2O5S2.ClH/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27;/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27);1H/t15-,17-,18-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H31ClN2O5S2
Molecular Weight 503.09
AlogP 2.39
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 95.94
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Angiotensin-converting enzyme inhibitor INHIBITOR PubMed

Target Conservation

Protein: Angiotensin-converting enzyme
Description: Angiotensin-converting enzyme
Organism : Homo sapiens
P12821 ENSG00000159640

Cross References

Resources Reference
ChEMBL CHEMBL1200831
FDA SRS OCC25LM897
Guide to Pharmacology 6575
KEGG D08529
PubChem 6850814
SureChEMBL SCHEMBL387353
ZINC ZINC52955714
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