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Z-10-Hydroxyamitriptyline

CAT: 0013-GTR19222666-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222666-02Size:500 mg
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Description
Z-10-Hydroxyamitriptyline is a racemic metabolite of amitriptyline found in urine. This small molecule is used in pharmacological research to study amitriptyline's metabolism and pharmacokinetics in both in vitro and in vivo experimental models.
CAS Number
72402-20-1
Smiles
C (\CCN (C) C) =C/1\C=2C (C (O) CC=3C1=CC=CC3) =CC=CC2
Molecular Formula
C20H23NO
Molecular Weight
293.40
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

10-Hydroxyamitriptyline, (Z)-
CAS Number72402-20-1
PubChem CID6420900
IUPAC Name(2Z)-2-[3-(dimethylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol
Molecular FormulaC20H23NO
Molecular Weight293.4
XLogP3.9
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity389
SMILES
CN(C)CC/C=C\1/C2=CC=CC=C2CC(C3=CC=CC=C31)O
InChI
InChI=1S/C20H23NO/c1-21(2)13-7-12-17-16-9-4-3-8-15(16)14-20(22)19-11-6-5-10-18(17)19/h3-6,8-12,20,22H,7,13-14H2,1-2H3/b17-12-
InChIKey
GHWBJXOKAFHZAI-ATVHPVEESA-N
Chemical Structure
2D Structure
2D structure of 10-Hydroxyamitriptyline, (Z)-
CAS: 72402-20-1
CID: 6420900
Formula: C20H23NO
MW: 293.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.4
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass293.177964357
Monoisotopic Mass293.177964357
Topological Polar Surface Area23.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity389
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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