Home Other Building Blocks 8-Chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-3-ol

8-Chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-3-ol

CAS No.:
119410-08-1
Catalog Number:
AG000IR2
Molecular Formula:
C19H19ClN2O
Molecular Weight:
326.8200
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$191
- +
5mg
≥98%
1 week
United States
$532
- +
10mg
≥98%
1 week
United States
$928
- +
Product Description
Catalog Number:
AG000IR2
Chemical Name:
8-Chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-3-ol
CAS Number:
119410-08-1
Molecular Formula:
C19H19ClN2O
Molecular Weight:
326.8200
MDL Number:
MFCD00878381
IUPAC Name:
13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol
InChI:
InChI=1S/C19H19ClN2O/c20-15-3-4-17-13(9-15)1-2-14-10-16(23)11-22-19(14)18(17)12-5-7-21-8-6-12/h3-4,9-11,21,23H,1-2,5-8H2
InChI Key:
NDFMTPISBHBIKE-UHFFFAOYSA-N
SMILES:
Oc1cnc2c(c1)CCc1c(C2=C2CCNCC2)ccc(c1)Cl
UNII:
3H9FFN759V
Properties
Complexity:
458  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.119g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
326.824g/mol
Monoisotopic Mass:
326.119g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
Title Journal
Prevalence of desloratadine poor metabolizer phenotype in healthy Jordanian males. Biopharmaceutics & drug disposition 20120101
Pharmacokinetic and safety profile of rupatadine when coadministered with azithromycin at steady-state levels: a randomized, open-label, two-way, crossover, Phase I study. Clinical therapeutics 20080901
Simultaneous determination of desloratadine and its active metabolite 3-hydroxydesloratadine in human plasma by LC/MS/MS and its application to pharmacokinetics and bioequivalence. Journal of pharmaceutical and biomedical analysis 20071130
Influence of food on the oral bioavailability of rupatadine tablets in healthy volunteers: a single-dose, randomized, open-label, two-way crossover study. Clinical therapeutics 20070501
Orthogonal extraction/chromatography and UPLC, two powerful new techniques for bioanalytical quantitation of desloratadine and 3-hydroxydesloratadine at 25 pg/mL. Journal of pharmaceutical and biomedical analysis 20060224
Pharmacokinetics/pharmacodynamics of desloratadine and fluoxetine in healthy volunteers. Journal of clinical pharmacology 20041101
Identification of human UDP-glucuronosyltransferase enzyme(s) responsible for the glucuronidation of 3-hydroxydesloratadine. Biopharmaceutics & drug disposition 20040901
Validation of a sensitive and automated 96-well solid-phase extraction liquid chromatography-tandem mass spectrometry method for the determination of desloratadine and 3-hydroxydesloratadine in human plasma. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20030725
Properties