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3-Hydroxy Desloratadine

CAT: 0572-TRC-H936750-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H936750-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119410-08-1
Synonyms
5H-Benzo[5,6]cyclohepta[1,2-b]pyridin-3-ol, 8-chloro-6,11-dihydro-11-(4-piperidinylidene)-; 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-3-ol; 3-Hydroxydesloratadine; Sch 45581
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
Oc1cnc2C(=C3CCNCC3)c4ccc(Cl)cc4CCc2c1
Molecular Formula
C19 H19 Cl N2 O
Molecular Weight
326.82
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
Additionnal Information
IUPAC name: 8-chloro-11-piperidin-4-ylidene-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-3-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Hydroxydesloratadine

structure in first source

CAS Number119410-08-1
PubChem CID10359050
IUPAC Name13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-6-ol
Molecular FormulaC19H19ClN2O
Molecular Weight326.8
XLogP4.1
Topological Polar Surface Area45.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity458
SMILES
C1CC2=C(C(=C3CCNCC3)C4=C1C=C(C=C4)Cl)N=CC(=C2)O
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
InChIKey
NDFMTPISBHBIKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxydesloratadine
CAS: 119410-08-1
CID: 10359050
Formula: C19H19ClN2O
MW: 326.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.8
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass326.1185909
Monoisotopic Mass326.1185909
Topological Polar Surface Area45.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
FH239743-Hydroxy desloratadine
CS-TB-669833-Hydroxy Desloratadine-d4
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sc-4955783-Hydroxy Desloratadine Dihydrochloride
AR-L01852-013-Hydroxy desloratadine HCl
HY-124245S23-Hydroxy desloratadine-d6
RM-D121817-01Desloratadine 3-Hydroxy Impurity
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