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α-Hydroxy alprazolam

CAT: 0013-GTR19240431-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240431-02Size:50 mg
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Description
α-Hydroxy alprazolam (U-40125) is the primary active metabolite of alprazolam, exhibiting approximately 60% of the parent compound's pharmacological activity. This small molecule is used in research to study benzodiazepine metabolism, pharmacokinetics, and receptor interactions in both in vitro and in vivo experimental models.
CAS Number
37115-43-8
Field of Research
Immunology & Inflammation, Metabolism Research, Pharmacology & Drug Discovery
Smiles
ClC=1C=CC2=C (C1) C (=NCC3=NN=C (N32) CO) C=4C=CC=CC4
Molecular Formula
C17H13ClN4O
Molecular Weight
324.76
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

alpha-Hydroxyalprazolam

Alpha-Hydroxyalprazolam is a triazolobenzodiazepine.

CAS Number37115-43-8
PubChem CID162244
IUPAC Name(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methanol
Molecular FormulaC17H13ClN4O
Molecular Weight324.8
XLogP0.9
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity454
SMILES
C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4)CO
InChI
InChI=1S/C17H13ClN4O/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)19-9-15-20-21-16(10-23)22(14)15/h1-8,23H,9-10H2
InChIKey
ZURUZYHEEMDQBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Hydroxyalprazolam
CAS: 37115-43-8
CID: 162244
Formula: C17H13ClN4O
MW: 324.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.8
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass324.0777887
Monoisotopic Mass324.0777887
Topological Polar Surface Area63.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity454
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

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T201680-01α-Hydroxy alprazolam
BML-J125-0005α-hydroxy-Alprazolam
HY-118714Sα-Hydroxy alprazolam-d5
TRC-H761500-10MG1-Hydroxy Alprazolam
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TRC-H761503-25MG1-Hydroxy Alprazolam-13C4
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