DIMENHYDRINATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1972)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: JB937PER5C

Structure
InChI Key NFLLKCVHYJRNRH-UHFFFAOYSA-N
Smile CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H28ClN5O3
Molecular Weight 469.97
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 62

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Vomiting 4 D014839 ClinicalTrials
Vertigo 3 D014717 ClinicalTrials
Postoperative Nausea and Vomiting 2 D020250 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
14.21
Nervous system disorders
12.63
Psychiatric disorders
11.58
General disorders and administration site conditions
11.05
Injury, poisoning and procedural complications
11.05
Vascular disorders
6.32
Immune system disorders
5.79
Eye disorders
5.26
Cardiac disorders
4.21
Metabolism and nutrition disorders
3.16
Skin and subcutaneous tissue disorders
3.16
Ear and labyrinth disorders
2.11
Infections and infestations
2.11
Investigations
2.11
Pregnancy, puerperium and perinatal conditions
2.11
Social circumstances
2.11

Cross References

Resources Reference
CAS NUMBER 523-87-5
ChEBI 94848
ChEMBL CHEMBL1200406
DrugBank DB00985
EPA CompTox DTXSID9025087
FDA SRS JB937PER5C
PDB H33
PubChem 10660
SureChEMBL SCHEMBL5128
ZINC ZINC05124023
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