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Dimenhydrinate

CAT: 0931-T0298-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T0298-02Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
523-87-5
Target
Histamine Receptor
Related Pathways
GPCR/G Protein, Immunology/Inflammation, Neuroscience
Purity
>99.99%
Bioactivity
Dimenhydrinate (Vomex A) is an ethanolamine and histamine antagonist with anti-allergic activity.
Smiles
Cn1c2c([nH]c(Cl)n2)c(=O)n(C)c1=O.CN(C)CCOC(c1ccccc1)c1ccccc1
Molecular Formula
C24H28ClN5O3
Molecular Weight
469.96
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dimenhydrinate

8-chloro-1,3-dimethyl-7H-purine-2,6-dione 2-(diphenylmethyl)oxy-N,N-dimethylethanamine is a diarylmethane.

CAS Number523-87-5
PubChem CID10660
IUPAC Name2-benzhydryloxy-N,N-dimethylethanamine;8-chloro-1,3-dimethyl-7H-purine-2,6-dione
Molecular FormulaC24H28ClN5O3
Molecular Weight470.0
Topological Polar Surface Area81.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity509
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10)
InChIKey
NFLLKCVHYJRNRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimenhydrinate
CAS: 523-87-5
CID: 10660
Formula: C24H28ClN5O3
MW: 470.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass469.1880675
Monoisotopic Mass469.1880675
Topological Polar Surface Area81.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity509
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

Alternative Products

CatalogName
FD22159-01Dimenhydrinate
CS-T-89423Dimenhydrinate-d12
A18163-100Dimenhydrinate 100mg
AR-D01881-01Dimenhydrinate Impurity

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