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Acrivastine-d7

CAT: 0804-HY-B1510SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1510SSize:1 mg
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Description
Acrivastine-d7 is a deuterium labeled Acrivastine. Acrivastine is a short acting histamine 1 receptor antagonist.
CAS Number
172165-56-9
Product Name Alternative
BW825C D7
UNSPSC
12352005
Target
Histamine Receptor; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Immunology/Inflammation; Neuronal Signaling; Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology; Inflammation/Immunology
Solubility
10 mM in DMSO
Smiles
O=C(O)/C=C/C1=NC(/C(C2=C([2H])C([2H])=C(C([2H])([2H])[2H])C([2H])=C2[2H])=C/CN3CCCC3)=CC=C1
Molecular Formula
C22H17D7N2O2
Molecular Weight
355.48
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Acrivastine D7
CAS Number172165-56-9
PubChem CID10428303
IUPAC Name(E)-3-[6-[(E)-3-pyrrolidin-1-yl-1-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]prop-1-enyl]-2-pyridinyl]prop-2-enoic acid
Molecular FormulaC22H24N2O2
Molecular Weight355.5
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
[2H]C1=C(C(=C(C(=C1/C(=C\CN2CCCC2)/C3=CC=CC(=N3)/C=C/C(=O)O)[2H])[2H])C([2H])([2H])[2H])[2H]
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+/i1D3,7D,8D,9D,10D
InChIKey
PWACSDKDOHSSQD-XQHWGIKSSA-N
Chemical Structure
2D Structure
2D structure of Acrivastine D7
CAS: 172165-56-9
CID: 10428303
Formula: C22H24N2O2
MW: 355.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.5
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass355.227715234
Monoisotopic Mass355.227715234
Topological Polar Surface Area53.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity514
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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