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Bamirastine 1mg

CAT: 0628-A13325-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A13325-1Size:1 mg
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CAS Number
215529-47-8

Chemical Information

2-(6-((3-(4-(Diphenylmethoxy)piperidino)propyl)amino)imidazo(1,2-b)pyridazin-2-yl)-2-methylpropionic acid

Bamirastine is a small molecule drug. The usage of the INN stem '-astine' in the name indicates that Bamirastine is a antihistaminic. Bamirastine has a monoisotopic molecular weight of 527.29 Da.

CAS Number215529-47-8
PubChem CID9806921
IUPAC Name2-[6-[3-(4-benzhydryloxypiperidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanoic acid
Molecular FormulaC31H37N5O3
Molecular Weight527.7
XLogP2.8
Topological Polar Surface Area92
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count39
Formal Charge0
Complexity743
SMILES
CC(C)(C1=CN2C(=N1)C=CC(=N2)NCCCN3CCC(CC3)OC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O
InChI
InChI=1S/C31H37N5O3/c1-31(2,30(37)38)26-22-36-28(33-26)15-14-27(34-36)32-18-9-19-35-20-16-25(17-21-35)39-29(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-15,22,25,29H,9,16-21H2,1-2H3,(H,32,34)(H,37,38)
InChIKey
WTBRUSNNZKWTMI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(6-((3-(4-(Diphenylmethoxy)piperidino)propyl)amino)imidazo(1,2-b)pyridazin-2-yl)-2-methylpropionic acid
CAS: 215529-47-8
CID: 9806921
Formula: C31H37N5O3
MW: 527.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.7
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass527.28964006
Monoisotopic Mass527.28964006
Topological Polar Surface Area92 Ų
Heavy Atom Count39
Formal Charge0
Complexity743
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

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