Desloratadine-d4

CAT: 0024-sc-207536Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-207536Size:2.5 mg

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CAS Number

381727-29-3

Chemical Information

8-Chloro-11-((2,2,6,6-~2~H_4_)piperidin-4-ylidene)-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridine

CAS Number	381727-29-3
PubChem CID	45038870
IUPAC Name	13-chloro-2-(2,2,6,6-tetradeuteriopiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Molecular Formula	C19H19ClN2
Molecular Weight	314.8
XLogP	4.5
Topological Polar Surface Area	24.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	22
Formal Charge	0
Complexity	425

SMILES

[2H]C1(CC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC(N1)([2H])[2H])[2H]

InChI

InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2/i10D2,11D2

InChIKey

JAUOIFJMECXRGI-MKQHWYKPSA-N

Chemical Structure

2D Structure

CAS: 381727-29-3

CID: 45038870

Formula: C19H19ClN2

MW: 314.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	314.8
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	314.1487833
Monoisotopic Mass	314.1487833
Topological Polar Surface Area	24.9 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	425
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-500432	Desloratadine Citric Amide-d4
sc-202133	Desloratadine
sc-202133A	Desloratadine
sc-500436	Desloratadine Epoxide
sc-500407	Desloratadine-d5
sc-210328	5-Hydroxy Desloratadine
sc-500440	Desloratadine-d5 Hydrochloride
sc-209593	3-Hydroxy Desloratadine
sc-212222	N-Methyl Desloratadine
sc-499155	11-Fluoro desloratadine

Catalog	Name
RM-L182072-01	Desloratadine-D4
HY-B0539S4	Desloratadine-d4 (hydrobromide)
CS-TB-66983	3-Hydroxy Desloratadine-d4
HY-W744212-01	N-Nitroso desloratadine-d4
TRC-F700302-5MG	N-Formyl Desloratadine-d4
TRC-H936772-1MG	6-Hydroxy Desloratadine-d4
163683	Desloratadine Citric Amide-d4
TRC-H936767-1MG	5-Hydroxy Desloratadine-d4