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Chemical structure of Dimenhydrinate

GC30902

Dimenhydrinate

Also known as 2-benzhydryloxy-N,N-dimethylethanamine;8-chloro-1,3-dimethyl-7H-purine-2,6-dione

Dimenhydrinate is an anti-emetic and anti-histamine commonly available over-the-counter as a motion sickness remedy

ChemicalCAS523-87-5MW469.96FormulaC24H28ClN5O3
CAS number
523-87-5
Molecular weight
469.96
Formula
C24H28ClN5O3
Solubility
DMSO ： ≥ 37 mg/mL (78·73 mM)
InChIKey
NFLLKCVHYJRNRH-UHFFFAOYSA-N
Catalogue number
GC30902
Brand
GLPBIO
Computed properties PubChem CID 10660 · TPSA 81.8 Ų · H-bond donors 1 · H-bond acceptors 5
TPSA
81.8 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
33

SMILES CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2

Computed descriptors from PubChem (CID 10660), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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