Dechloro Trazodone

CAT: 0024-sc-500299Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-500299Size:25 mg

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CAS Number

62337-66-0

Chemical Information

Dechloro trazodone

CAS Number	62337-66-0
PubChem CID	71315252
IUPAC Name	2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular Formula	C19H23N5O
Molecular Weight	337.4
XLogP	2.2
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	570

SMILES

C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC=CC=C4

InChI

InChI=1S/C19H23N5O/c25-19-23-11-5-4-9-18(23)20-24(19)12-6-10-21-13-15-22(16-14-21)17-7-2-1-3-8-17/h1-5,7-9,11H,6,10,12-16H2

InChIKey

JGIRPKCVHRVHJZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62337-66-0

CID: 71315252

Formula: C19H23N5O

MW: 337.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.4
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	337.19026037
Monoisotopic Mass	337.19026037
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	570
Isotope Atom Count	0
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-500187	3-Dechloro-3-bromo trazodone hydrochloride
sc-500185	Dechloro anagrelide
sc-496616	Ethyl Trazodone
sc-213097	Trazodone Hydrochloride
sc-213097A	Trazodone Hydrochloride
sc-500656	5-Dechloro roflumilast
sc-213098	Trazodone N-Oxide
sc-220319	Trazodone-d6 Hydrochloride
sc-470955	3-Dechloro Sertraline Hydrochloride
sc-500186	4-Dechloro-3-chloroindomethacin

Catalog	Name
582047	Dechloro trazodone
TRC-D226703-50MG	Dechloro Trazodone Hydrochloride
271284-01	3-Dechloro-3-bromo trazodone hydrochloride
MBS342182-01	Trazodone