Delapril hydrochlorideProduct ingredient for Delapril
- Name
- Delapril hydrochloride
- Drug Entry
- Delapril
- Accession Number
- DBSALT002758
- Structure
Structure for Delapril hydrochloride (DBSALT002758)
- Synonyms
- Delapril HCl
- External IDs
- REV 6000A / REV-6000A
- UNII
- 2SMM3M5ZMH
- CAS Number
- 83435-67-0
- Weight
- Average: 489.01
Monoisotopic: 488.2077999 - Chemical Formula
- C26H33ClN2O5
- InChI Key
- FDJCVHVKXFIEPJ-JCNFZFLDSA-N
- InChI
- InChI=1S/C26H32N2O5.ClH/c1-3-33-26(32)23(14-13-19-9-5-4-6-10-19)27-18(2)25(31)28(17-24(29)30)22-15-20-11-7-8-12-21(20)16-22;/h4-12,18,22-23,27H,3,13-17H2,1-2H3,(H,29,30);1H/t18-,23-;/m0./s1
- IUPAC Name
- 2-[(2S)-N-(2,3-dihydro-1H-inden-2-yl)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanamido]acetic acid hydrochloride
- SMILES
- Cl.CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N(CC(O)=O)C1CC2=C(C1)C=CC=C2
- External Links
- ChemSpider
- 4514930
- ChEBI
- 31462
- ChEMBL
- CHEMBL2106126
- Predicted Properties
Property Value Source Water Solubility 0.00537 mg/mL ALOGPS logP 1.69 ALOGPS logP 2.17 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 3.82 Chemaxon pKa (Strongest Basic) 5.21 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 12 Chemaxon Refractivity 124.64 m3·mol-1 Chemaxon Polarizability 49.42 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon