emedastine   Click here for help

GtoPdb Ligand ID: 7174

Synonyms: AL-3432A | Emadine®
Approved drug
emedastine is an approved drug (FDA (1997), EMA (1999))
Compound class: Synthetic organic
Comment: Emedastine is an antihistamine.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 33.53
Molecular weight 302.21
XLogP 2.68
No. Lipinski's rules broken 0
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Canonical SMILES CCOCCn1c(nc2c1cccc2)N1CCCN(CC1)C
Isomeric SMILES CCOCCn1c(nc2c1cccc2)N1CCCN(CC1)C
InChI InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1997), EMA (1999))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
6257 emedastine
Synonyms Click here for help
AL-3432A | Emadine®
Database Links Click here for help
CAS Registry No. 87233-61-2
DrugBank Ligand DB01084
DrugCentral Ligand 999
GtoPdb PubChem SID 178103749
PubChem CID 3219
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Wikipedia Emedastine