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Acrivastine

CAT: 0024-sc-357283Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-357283Size:10 mg
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CAS Number
87848-99-5

Chemical Information

Acrivastine

Acrivastine is a member of the class of pyridines that is (pyridin-2-yl)acrylic acid substituted at position 6 by a [(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl group. It is a non-sedating antihistamine used for treatment of hayfever, urticaria, and rhinitis. It has a role as a H1-receptor antagonist. It is a member of pyridines, a N-alkylpyrrolidine, an olefinic compound and an alpha,beta-unsaturated monocarboxylic acid.

CAS Number87848-99-5
PubChem CID5284514
IUPAC Name(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enoic acid
Molecular FormulaC22H24N2O2
Molecular Weight348.4
XLogP1.6
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity514
SMILES
CC1=CC=C(C=C1)/C(=C\CN2CCCC2)/C3=CC=CC(=N3)/C=C/C(=O)O
InChI
InChI=1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+
InChIKey
PWACSDKDOHSSQD-IUTFFREVSA-N
Chemical Structure
2D Structure
2D structure of Acrivastine
CAS: 87848-99-5
CID: 5284514
Formula: C22H24N2O2
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass348.183778013
Monoisotopic Mass348.183778013
Topological Polar Surface Area53.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity514
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes