Trazodone Hydrochloride Impurity D

CAT: 1299-RM-T260404-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T260404-01Size:10 mg

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CAS Number

1263358-13-9

Synonyms

2- (3- (4- (3-bromophenyl) piperazin-1-yl) propyl) -[1,2,4]triazolo[4,3-a]pyridin-3 (2H) -one

Molecular Formula

C19H22BrN5O

Molecular Weight

416.31

Target Alternative Name

Trazodone

Product Name Synonym

2- (3- (4- (3-bromophenyl) piperazin-1-yl) propyl) -[1,2,4]triazolo[4,3-a]pyridin-3 (2H) -one

Chemical Information

3-Dechloro-3-bromo trazodone

CAS Number	1263358-13-9
PubChem CID	71315238
IUPAC Name	2-[3-[4-(3-bromophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular Formula	C19H22BrN5O
Molecular Weight	416.3
XLogP	2.9
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	611

SMILES

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

InChI

InChI=1S/C19H22BrN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2

InChIKey

HNSTYKJQMWGCRU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1263358-13-9

CID: 71315238

Formula: C19H22BrN5O

MW: 416.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	416.3
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	415.10077
Monoisotopic Mass	415.10077
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	611
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
RM-T260401-01	Trazodone Hydrochloride Impurity A; Trazodone N1-Oxide
RM-T260440-01	Trazodone hydrochloride Impurity 40
RM-T260422-01	Trazodone hydrochloride Impurity V
RM-T260417-01	Trazodone Hydrochloride Impurity Q
RM-T260427-01	Trazodone Hydrochloride Impurity 27
RM-T260424-01	Trazodone Hydrochloride Impurity 24
RM-T260437-01	Trazodone Hydrochloride Impurity 37
RM-T260434-01	Trazodone Hydrochloride Impurity 34
RM-T260423-01	Trazodone Hydrochloride Impurity W
RM-T260411-01	Trazodone Hydrochloride Impurity K

Catalog	Name
CS-O-35528	Trazodone Hydrochloride - Impurity A
IT171024-01	Trazodone Hydrochloride BP Impurity A
CS-K-00137	Trazodone Hydrochloride Impurity I
CS-O-35529	Trazodone Hydrochloride - Impurity G
CS-ET-00040	Trazodone hydrochloride impurity standard (591)
HY-B0478-01	Trazodone (hydrochloride)
T6350	Trazodone hydrochloride
IT171132	Trazodone Impurity A
A11703-50	Trazodone hydrochloride 50mg
CS-P-00132	Trazodone Impurity F