NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
10-(piperazin-1-yl)-2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaene
|
10-(piperazin-1-yl)-2-thia-9-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
|
|
|
IUPAC Traditional name
|
10-(piperazin-1-yl)-2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaene
|
10-(piperazin-1-yl)-2-thia-9-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
|
|
|
Synonyms
|
11-(Piperazin-1-yl)dibenzo[b,f][1,4]thiazepine
|
11-(1-Piperazinyl)-dibenzo[b,f][1,4]thiazepine, Dihydrochloride, DBTP,
|
N-Des[2-(2-hydroxyethoxy)ethyl] Quetiapine Dihydrochloride
|
|
|
CAS Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
3
|
H Donor
|
1
|
LogD (pH = 5.5)
|
0.18002224
|
LogD (pH = 7.4)
|
1.7266085
|
Log P
|
3.161972
|
Molar Refractivity
|
91.4549 cm3
|
Polarizability
|
34.093166 Å3
|
Polar Surface Area
|
27.63 Å2
|
Rotatable Bonds
|
0
|
Lipinski's Rule of Five
|
true
|
DETAILS
DETAILS
TRC
Toronto Research Chemicals -
D288740
|
A metabolite of Quetiapine, a Benzothiazepine with mixed serotonin and dopamine receptor antagonistic properties used as an antipsychotic. |
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • DeVane, C., et al.: Clin. Pharmacokinet., 40, 509 (2001)
- • Lin, S., et al.: J. Anal. Toxicol., 28, 443 (2001)
- • Zhou, S., et al.: Curr. Drug Metab., 5, 415 (2001)
- • Grimm, S., et al.: Br. J. Clin. Pharmacol., 61, 58 (2001)
- Searching...Please wait...
PATENTS
PATENTS
PubChem Patent
Google Patent