Tilidine hydrochloride hemihydrateProduct ingredient for Tilidine

Name
Tilidine hydrochloride hemihydrate
Drug Entry
Tilidine
Accession Number
DBSALT003195
Structure
Synonyms
Not Available
UNII
Y757T3419R
CAS Number
255733-17-6
Weight
Average: 947.52
Monoisotopic: 945.4592348
Chemical Formula
C51H74Cl3N3O7
InChI Key
WHYVWQHDUOALSV-UMJMSJQKSA-N
InChI
InChI=1S/2C17H23NO2.2ClH.H2O/c2*1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;;;/h2*5-8,10-12,15H,4,9,13H2,1-3H3;2*1H;1H2/t2*15-,17+;;;/m11.../s1
IUPAC Name
SMILES
O.Cl.Cl.CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C1=CC=CC=C1.CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C1=CC=CC=C1
ChemSpider
32701688
Predicted Properties
PropertyValueSource
Water Solubility0.181 mg/mLALOGPS
logP3.16ALOGPS
logS-3.2ALOGPS
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon