Temocapril hydrochlorideProduct ingredient for Temocapril
- Name
- Temocapril hydrochloride
- Drug Entry
- Temocapril
Temocapril is a prodrug-type angiotensin-I converting enzyme (ACE) inhibitor not approved for use in the United States, but is approved in Japan and South Korea. Temocapril can also be used in hemodialysis patients without risk of serious accumulation.
- Accession Number
- DBSALT000171
- Structure
Structure for Temocapril hydrochloride (DBSALT000171)
- Synonyms
- Temocapril HCl
- UNII
- 8G820I95VP
- CAS Number
- 110221-44-8
- Weight
- Average: 513.07
Monoisotopic: 512.120641135 - Chemical Formula
- C23H29ClN2O5S2
- InChI Key
- XDDQNOKKZKHBIX-ASBZXGSUSA-N
- InChI
- InChI=1S/C23H28N2O5S2.ClH/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27;/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27);1H/t17-,18-,20-;/m0./s1
- IUPAC Name
- 2-[(2S,6R)-6-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-5-oxo-2-(thiophen-2-yl)-1,4-thiazepan-4-yl]acetic acid hydrochloride
- SMILES
- Cl.CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H]1CS[C@@H](CN(CC(O)=O)C1=O)C1=CC=CS1
- External Links
- PubChem Compound
- 443873
- ChemSpider
- 391963
- ChEBI
- 32190
- ChEMBL
- CHEMBL2104499
- Predicted Properties
Property Value Source Water Solubility 0.00342 mg/mL ALOGPS logP 2.46 ALOGPS logP 2.04 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 3.88 Chemaxon pKa (Strongest Basic) 5.14 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 95.94 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 124.1 m3·mol-1 Chemaxon Polarizability 49.28 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon