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Noberastine citrate

CAT: 0931-T70773-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70773-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
139751-07-8
Target
Others
Related Pathways
Others
Bioactivity
Noberastine citrate, a histamine H1 antagonist, has potent and specific peripheral antihistaminic activity. Noberastine, a furan derivative of nor-astemizole (an astemizole metabolite), has been shown to have a more rapid onset, and shorter duration of action than astemizole with peak antihistaminic activity at 4h following ingestion. Noberastine is rapidly absorbed and the peak plasma levels are obtained within 2 h of oral dosing. In preclinical studies Noberastine has been shown to lack central nervous system effects. After subacute (steady-state) administration of noberastine, there was increasing inhibition of weal and flare formation with higher doses of the drug. The 30 mg daily dose showed maximum antihistaminic effects.
Smiles
OC(=O)CC(O)(CC(O)=O)C(O)=O.Cc1ccc(Cn2c(NC3CCNCC3)nc3cccnc23)o1
Molecular Formula
C23H29N5O8
Molecular Weight
503.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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