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Levomequitazine

CAT: 0013-GTR19193843-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193843-02Size:50 mg
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Description
Levomequitazine is a small molecule candidate with antihistaminic properties, intended for research use. It is applicable for in vitro and in vivo studies investigating allergic responses and histamine receptor function.
CAS Number
88598-74-7
Smiles
C ([C@@H]1CN2CCC1CC2) N1c2ccccc2Sc2ccccc12
Molecular Formula
C20H22N2S
Molecular Weight
322.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Levomequitazine
CAS Number88598-74-7
PubChem CID6992284
IUPAC Name10-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]methyl]phenothiazine
Molecular FormulaC20H22N2S
Molecular Weight322.5
XLogP4.6
Topological Polar Surface Area31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity398
SMILES
C1CN2CCC1[C@@H](C2)CN3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/t16-/m0/s1
InChIKey
HOKDBMAJZXIPGC-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Levomequitazine
CAS: 88598-74-7
CID: 6992284
Formula: C20H22N2S
MW: 322.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.5
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass322.15036988
Monoisotopic Mass322.15036988
Topological Polar Surface Area31.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity398
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5782273Levomequitazine

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