5-Hydroxy Desloratadine

CAT: 0024-sc-210328Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-210328Size:1 mg

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CAS Number

117811-12-8

Chemical Information

5-Hydroxy Desloratadine

CAS Number	117811-12-8
PubChem CID	14637775
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-9-ol
Molecular Formula	C19H19ClN2O
Molecular Weight	326.8
XLogP	3.4
Topological Polar Surface Area	45.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	23
Formal Charge	0
Complexity	458

SMILES

C1CNCCC1=C2C3=C(CC(C4=C2N=CC=C4)O)C=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN2O/c20-14-3-4-15-13(10-14)11-17(23)16-2-1-7-22-19(16)18(15)12-5-8-21-9-6-12/h1-4,7,10,17,21,23H,5-6,8-9,11H2

InChIKey

LWCSUGDLKORNAJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 117811-12-8

CID: 14637775

Formula: C19H19ClN2O

MW: 326.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.8
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	326.1185909
Monoisotopic Mass	326.1185909
Topological Polar Surface Area	45.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	458
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-209593	3-Hydroxy Desloratadine
sc-210517	6-Hydroxy Desloratadine
sc-216445	3-Hydroxy Desloratadine-d4
sc-495578	3-Hydroxy Desloratadine Dihydrochloride
sc-499069	3-Hydroxy Desloratadine Dihydrochloride Hydrate
sc-209594	3-Hydroxy Desloratadine β-D-Glucuronide
sc-500434	5′-[ (Desloratadine) methyl] Rupatadine
sc-202133	Desloratadine
sc-202133A	Desloratadine
sc-500435	5′-[ (Desloratadine) methyl] Rupatadine-d8

Catalog	Name
279072-01	5-Hydroxy desloratadine
TRC-H936767-1MG	5-Hydroxy Desloratadine-d4
FH23974	3-Hydroxy desloratadine
AR-L01859-01	6-Hydroxy Desloratadine
CS-TB-66983	3-Hydroxy Desloratadine-d4
HY-124245R	3-Hydroxy desloratadine (Standard)
RM-D121816-01	Desloratadine N-Hydroxy Impurity
TRC-H936772-1MG	6-Hydroxy Desloratadine-d4
AR-L01901-01	11-Hydroxy Dihydro Desloratadine