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4'-Hydroxy trazodone

CAT: 0926-FH24148-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FH24148-03Size:5 mg
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CAS Number
53818-10-3
Synonyms
2-[3-[4- (3-Chloro-4-hydroxyphenyl) -1-piperazinyl]propyl]-1,2,4-triazolo[4,3-a]pyridin-3 (2H) -one
MDL Number
MFCD18252515
Smiles
C1CN (CCN1CCCN2C (=O) N3C=CC=CC3=N2) C4=CC (=C (C=C4) O) Cl
Molecular Formula
C19H22ClN5O2
Molecular Weight
387.86 g/mol
Controlled
No

Chemical Information

4-Hydroxytrazodone

4'-hydroxytrazodone is a member of piperazines.

CAS Number53818-10-3
PubChem CID46781917
IUPAC Name2-[3-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Molecular FormulaC19H22ClN5O2
Molecular Weight387.9
XLogP2.5
Topological Polar Surface Area62.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity644
SMILES
C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=C(C=C4)O)Cl
InChI
InChI=1S/C19H22ClN5O2/c20-16-14-15(5-6-17(16)26)23-12-10-22(11-13-23)7-3-9-25-19(27)24-8-2-1-4-18(24)21-25/h1-2,4-6,8,14,26H,3,7,9-13H2
InChIKey
FNUZSRSXQFIOPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxytrazodone
CAS: 53818-10-3
CID: 46781917
Formula: C19H22ClN5O2
MW: 387.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.9
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass387.1462027
Monoisotopic Mass387.1462027
Topological Polar Surface Area62.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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