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Melitracen

CAT: 0013-GTR19202493-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202493-02Size:50 mg
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Description
Melitracen is a tricyclic antidepressant compound used in research to study monoamine reuptake inhibition. It is applied in neuropharmacology for investigating depression mechanisms and has utility in both in vitro binding assays and in vivo behavioral models.
CAS Number
5118-29-6
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (CCN (C) C) =C1C=2C (C (C) (C) C=3C1=CC=CC3) =CC=CC2
Molecular Formula
C21H25N
Molecular Weight
291.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Melitracene

Melitracen is a member of anthracenes.

CAS Number5118-29-6
PubChem CID25382
IUPAC Name3-(10,10-dimethylanthracen-9-ylidene)-N,N-dimethylpropan-1-amine
Molecular FormulaC21H25N
Molecular Weight291.4
XLogP5.6
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity378
SMILES
CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C
InChI
InChI=1S/C21H25N/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h5-8,10-14H,9,15H2,1-4H3
InChIKey
GWWLWDURRGNSRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Melitracene
CAS: 5118-29-6
CID: 25382
Formula: C21H25N
MW: 291.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.4
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass291.198699802
Monoisotopic Mass291.198699802
Topological Polar Surface Area3.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity378
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

Alternative Products

CatalogName
T20017-01Melitracen
T4274-01Melitracen hydrochloride
HY-108256-01Melitracen (hydrochloride)
540284Melitracen HCl
AR-M01289-01Melitracen-d6
TRC-A851290-250MG9-Anthracenol Melitracen
RM-M120304-01Melitracen Impurity D
RM-M120303-01Melitracen Impurity C
RM-M120305-01Melitracen Impurity 5
RM-M120313-01Melitracen Impurity 13

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