Trazodone hydrochloride Impurity V

CAT: 1299-RM-T260422-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T260422-01Size:10 mg

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CAS Number

53689-10-4

Synonyms

2- (3- (bis (2-chloroethyl) amino) propyl) -[1,2,4]triazolo[4,3-a]pyridin-3 (2H) -one

Molecular Formula

C13H18Cl2N4O

Molecular Weight

317.21

Target Alternative Name

Trazodone

Product Name Synonym

2- (3- (bis (2-chloroethyl) amino) propyl) -[1,2,4]triazolo[4,3-a]pyridin-3 (2H) -one

Chemical Information

2-[3-[Bis(2-chloroethyl)amino]propyl]-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one

CAS Number	53689-10-4
PubChem CID	12799121
IUPAC Name	2-[3-[bis(2-chloroethyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular Formula	C13H18Cl2N4O
Molecular Weight	317.21
XLogP	1.8
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	20
Formal Charge	0
Complexity	430

SMILES

C1=CC2=NN(C(=O)N2C=C1)CCCN(CCCl)CCCl

InChI

InChI=1S/C13H18Cl2N4O/c14-5-10-17(11-6-15)7-3-9-19-13(20)18-8-2-1-4-12(18)16-19/h1-2,4,8H,3,5-7,9-11H2

InChIKey

XZFRYYHZODSXRL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53689-10-4

CID: 12799121

Formula: C13H18Cl2N4O

MW: 317.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	317.21
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	316.0857666
Monoisotopic Mass	316.0857666
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	430
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-T260417-01	Trazodone Hydrochloride Impurity Q
RM-T260427-01	Trazodone Hydrochloride Impurity 27
RM-T260424-01	Trazodone Hydrochloride Impurity 24
RM-T260440-01	Trazodone hydrochloride Impurity 40
RM-T260437-01	Trazodone Hydrochloride Impurity 37
RM-T260434-01	Trazodone Hydrochloride Impurity 34
RM-T260441-01	Trazodone hydrochloride Impurity 41
RM-T260438-01	Trazodone hydrochloride Impurity 38
RM-T260423-01	Trazodone Hydrochloride Impurity W

Catalog	Name
CS-O-35528	Trazodone Hydrochloride - Impurity A
IT171024-01	Trazodone Hydrochloride BP Impurity A
CS-O-35529	Trazodone Hydrochloride - Impurity G
CS-K-00137	Trazodone Hydrochloride Impurity I
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