Larsucosterol sodiumProduct ingredient for Larsucosterol
- Name
- Larsucosterol sodium
- Drug Entry
- Larsucosterol
- Accession Number
- DBSALT003403
- Structure
Structure for Larsucosterol sodium (DBSALT003403)
- Synonyms
- 5-CHOLESTEN-3.BETA.-25-DIOL-3-SULFATE SODIUM SALT / 5-CHOLESTEN-3.BETA., 25-DIOL 3-SULFATE SODIUM / 5-CHOLESTEN-3.BETA., 25-DIOL 3-SULFATE SODIUM SALT / DUR-928 SODIUM / DV-928 SODIUM / SODIUM LARSUCOSTEROL
- UNII
- 71A5JOPBE8
- CAS Number
- 1174047-40-5
- Weight
- Average: 504.7
Monoisotopic: 504.28854 - Chemical Formula
- C27H45NaO5S
- InChI Key
- OEGAOHNRCSZIRO-KSGNISEOSA-M
- InChI
- InChI=1S/C27H46O5S.Na/c1-18(7-6-14-25(2,3)28)22-10-11-23-21-9-8-19-17-20(32-33(29,30)31)12-15-26(19,4)24(21)13-16-27(22,23)5;/h8,18,20-24,28H,6-7,9-17H2,1-5H3,(H,29,30,31);/q;+1/p-1/t18-,20+,21+,22-,23+,24+,26+,27-;/m1./s1
- IUPAC Name
- sodium (1R,3aS,3bS,7S,9aR,9bS,11aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl sulfate
- SMILES
- [Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS([O-])(=O)=O)[C@H](C)CCCC(C)(C)O
- External Links
- ChemSpider
- 98645593
- ChEMBL
- CHEMBL4802246
- Predicted Properties
Property Value Source logP 4.33 Chemaxon pKa (Strongest Acidic) -1.6 Chemaxon pKa (Strongest Basic) -1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 86.66 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 131.32 m3·mol-1 Chemaxon Polarizability 57.03 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon