EMEDASTINE DIFUMARATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1997)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 42MB94QOSM

Structure
InChI Key FWLKKPKZQYVAFR-LVEZLNDCSA-N
Smile CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/C17H26N4O.2C4H4O4/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;2*5-3(6)1-2-4(7)8/h4-5,7-8H,3,6,9-14H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H34N4O9
Molecular Weight 534.57
AlogP 2.21
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 33.53
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist DailyMed

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Eye disorders
75.0
Nervous system disorders
12.5
Product issues
12.5

Cross References

Resources Reference
ChEBI 4779
ChEMBL CHEMBL2103739
EPA CompTox DTXSID2046911
FDA SRS 42MB94QOSM
Guide to Pharmacology 7174
KEGG C07785
PubChem 5282485
SureChEMBL SCHEMBL41384
ZINC ZINC22007271
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