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Domoxin hydrogen tartrate

CAT: 0013-GTR19241800-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241800-01Size:10 mg
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Description
Domoxin is a hydrazine-derived monoamine oxidase inhibitor (MAOI) antidepressant not yet commercially released. It is a research chemical used in preclinical studies to investigate MAOI mechanisms and effects in both in vitro enzymatic assays and in vivo neuropharmacological models.
CAS Number
325-23-5
Smiles
C (N (CC1=CC=CC=C1) N) C2OC=3C (OC2) =CC=CC3.[C@@H] ([C@H] (C (O) =O) O) (C (O) =O) O
Molecular Formula
C20H24N2O8
Molecular Weight
420.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Domoxin hydrogen tartrate
CAS Number325-23-5
PubChem CID118984348
IUPAC Name1-benzyl-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)hydrazine;(2R,3R)-2,3-dihydroxybutanedioic acid
Molecular FormulaC20H24N2O8
Molecular Weight420.4
Topological Polar Surface Area163
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity428
SMILES
C1C(OC2=CC=CC=C2O1)CN(CC3=CC=CC=C3)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C16H18N2O2.C4H6O6/c17-18(10-13-6-2-1-3-7-13)11-14-12-19-15-8-4-5-9-16(15)20-14;5-1(3(7)8)2(6)4(9)10/h1-9,14H,10-12,17H2;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKey
QLQIFWFXTMURHT-LREBCSMRSA-N
Chemical Structure
2D Structure
2D structure of Domoxin hydrogen tartrate
CAS: 325-23-5
CID: 118984348
Formula: C20H24N2O8
MW: 420.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass420.15326573
Monoisotopic Mass420.15326573
Topological Polar Surface Area163 Ų
Heavy Atom Count30
Formal Charge0
Complexity428
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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