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4-hydroxy Xylazine

CAT: 0931-T35726-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T35726-02Size:1 mg
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CAS Number
145356-32-7
Target
Others
Related Pathways
Others
Bioactivity
4-hydroxy Xylazine is the hydroxylated xylazine metabolite.
Smiles
OC=1C=C(C(NC2=NCCCS2)=C(C1)C)C
Molecular Formula
C12H16N2OS
Molecular Weight
236.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-((5,6-Dihydro-4H-1,3-thiazin-2-yl)amino)-3,5-dimethylphenol
CAS Number145356-32-7
PubChem CID46781929
IUPAC Name4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-3,5-dimethylphenol
Molecular FormulaC12H16N2OS
Molecular Weight236.34
XLogP2.5
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity258
SMILES
CC1=CC(=CC(=C1NC2=NCCCS2)C)O
InChI
InChI=1S/C12H16N2OS/c1-8-6-10(15)7-9(2)11(8)14-12-13-4-3-5-16-12/h6-7,15H,3-5H2,1-2H3,(H,13,14)
InChIKey
FXWQWFCVDXMJNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((5,6-Dihydro-4H-1,3-thiazin-2-yl)amino)-3,5-dimethylphenol
CAS: 145356-32-7
CID: 46781929
Formula: C12H16N2OS
MW: 236.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.34
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass236.09833431
Monoisotopic Mass236.09833431
Topological Polar Surface Area69.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity258
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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Alternative Products

CatalogName
AR-X01029-014-Hydroxy Xylazine
0146724-Hydroxy Xylazine discontinued
HY-W702712-013-Hydroxy xylazine
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