NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
(5S)-8-chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol hydrochloride
|
|
|
IUPAC Traditional name
|
(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol hydrochloride
|
|
|
Synonyms
|
S(-)-7-Chloro-8-hydroxy-3 methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride
|
S(-)-SCH-23388 hydrochloride
|
S(-)-7-氯-8-羟基-3-甲基-1-苯基-2,3,4,5-四氢-1H-3-苯并氮杂卓 盐酸盐
|
S(-)-SCH-23388 盐酸盐
|
|
|
CAS Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
7.7272134
|
H Acceptors
|
2
|
H Donor
|
1
|
LogD (pH = 5.5)
|
1.1550401
|
LogD (pH = 7.4)
|
2.7690248
|
Log P
|
3.0575705
|
Molar Refractivity
|
84.0176 cm3
|
Polarizability
|
32.255955 Å3
|
Polar Surface Area
|
23.47 Å2
|
Rotatable Bonds
|
1
|
Lipinski's Rule of Five
|
true
|
DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent