Org 25935 HydrochlorideProduct ingredient for ORG-25935

Name
Org 25935 Hydrochloride
Drug Entry
ORG-25935

Org 25935 has been used in trials studying the treatment of Alcoholism, Schizophrenia, and Panic Disorder.

Accession Number
DBSALT002157
Structure
Synonyms
Not Available
UNII
H6MSM69SSM
CAS Number
1146978-08-6
Weight
Average: 375.89
Monoisotopic: 375.1601214
Chemical Formula
C21H26ClNO3
InChI Key
SDTLOODMXMDJFX-JKSHRDEXSA-N
InChI
InChI=1S/C21H25NO3.ClH/c1-22(14-20(23)24)13-17-9-8-16-12-18(25-2)10-11-19(16)21(17)15-6-4-3-5-7-15;/h3-7,10-12,17,21H,8-9,13-14H2,1-2H3,(H,23,24);1H/t17-,21+;/m1./s1
IUPAC Name
2-({[(1R,2S)-6-methoxy-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methyl}(methyl)amino)acetic acid hydrochloride
SMILES
Cl.COC1=CC=C2[C@H]([C@@H](CN(C)CC(O)=O)CCC2=C1)C1=CC=CC=C1
ChemSpider
9914925
Predicted Properties
PropertyValueSource
Water Solubility0.00924 mg/mLALOGPS
logP3.87ALOGPS
logP1.07Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)1.68Chemaxon
pKa (Strongest Basic)10.59Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area49.77 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity98.86 m3·mol-1Chemaxon
Polarizability37.57 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon