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Noberastine citrate

CAT: 0013-GTR19209077-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209077-01Size:25 mg
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Description
Noberastine citrate is a potent and selective peripheral histamine H1 antagonist derived from nor-astemizole. It exhibits rapid absorption with peak plasma levels at 2 hours and maximum antihistaminic activity at 4 hours, showing dose-dependent inhibition of histamine-induced weal and flare in studies. Its rapid onset, short duration, and lack of central nervous system effects make it a useful research tool for investigating allergic mechanisms in vivo and in vitro.
CAS Number
139751-07-8
Smiles
OC (=O) CC (O) (CC (O) =O) C (O) =O.Cc1ccc (Cn2c (NC3CCNCC3) nc3cccnc23) o1
Molecular Formula
C23H29N5O8
Molecular Weight
503.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Noberastine citrate
CAS Number139751-07-8
PubChem CID21695212
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;3-[(5-methylfuran-2-yl)methyl]-N-piperidin-4-ylimidazo[4,5-b]pyridin-2-amine
Molecular FormulaC23H29N5O8
Molecular Weight503.5
Topological Polar Surface Area200
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity617
SMILES
CC1=CC=C(O1)CN2C3=C(C=CC=N3)N=C2NC4CCNCC4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C17H21N5O.C6H8O7/c1-12-4-5-14(23-12)11-22-16-15(3-2-8-19-16)21-17(22)20-13-6-9-18-10-7-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-5,8,13,18H,6-7,9-11H2,1H3,(H,20,21);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
VXIJMTRTCJNTMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Noberastine citrate
CAS: 139751-07-8
CID: 21695212
Formula: C23H29N5O8
MW: 503.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass503.20161290
Monoisotopic Mass503.20161290
Topological Polar Surface Area200 Ų
Heavy Atom Count36
Formal Charge0
Complexity617
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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