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Dimenhydrinate (Standard)

CAT: 0804-HY-B1215R-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1215R-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dimenhydrinate (Standard) is the analytical standard of Dimenhydrinate. This product is intended for research and analytical applications. Dimenhydrinate is an orally active H1-antihistamine consisting of Diphenhydramine and 8-Chlorotheophylline. Dimenhydrinate is used to prevent nausea, vomiting, dizziness, and vertigo associated with motion sickness[1].
CAS Number
523-87-5
UNSPSC
12352005
Target
Histamine Receptor; Reference Standards
Type
Reference Standards
Related Pathways
GPCR/G Protein; Immunology/Inflammation; Neuronal Signaling; Others
Field of Research
Neurological Disease; Endocrinology
Assay Protocol
https://www.medchemexpress.com/dimenhydrinate-standard.html
Smiles
O=C(N1C)N(C)C2=C(NC(Cl)=N2)C1=O.CN(C)CCOC(C3=CC=CC=C3)C4=CC=CC=C4
Molecular Formula
C24H28ClN5O3
Molecular Weight
469.96
References & Citations
[1]Thi-Lien Nguyen, et al. Assessment of the rewarding effects of dimenhydrinate using the conditioned place preference paradigm in mice. Neurosci Lett. 2010 Feb 26;471 (1) :38-42.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

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

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