Tretoquinol hydrochloride anhydrousProduct ingredient for Tretoquinol
- Name
- Tretoquinol hydrochloride anhydrous
- Drug Entry
- Tretoquinol
- Accession Number
- DBSALT003098
- Structure
Structure for Tretoquinol hydrochloride anhydrous (DBSALT003098)
- Synonyms
- Tretoquinol HCl anhydrous / Tretoquinol l-form HCl / Tretoquinol l-form hydrochloride / Trimetoquinol HCl / Trimetoquinol hydrochloride
- External IDs
- 242-423-5
- UNII
- 298SP836N4
- CAS Number
- 18559-59-6
- Weight
- Average: 381.85
Monoisotopic: 381.1343006 - Chemical Formula
- C19H24ClNO5
- InChI Key
- UHSXRTHJCJGEKG-UQKRIMTDSA-N
- InChI
- InChI=1S/C19H23NO5.ClH/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14;/h7-10,14,20-22H,4-6H2,1-3H3;1H/t14-;/m0./s1
- IUPAC Name
- (1S)-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride
- SMILES
- Cl.COC1=CC(C[C@@H]2NCCC3=C2C=C(O)C(O)=C3)=CC(OC)=C1OC
- External Links
- ChemSpider
- 570988
- ChEMBL
- CHEMBL1788290
- Predicted Properties
Property Value Source Water Solubility 0.0986 mg/mL ALOGPS logP 2.23 ALOGPS logP 2.24 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 9.53 Chemaxon pKa (Strongest Basic) 8.52 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 80.18 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 95 m3·mol-1 Chemaxon Polarizability 37.23 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon