Molecular Identity
Epinastine
2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine
PubChem CID: 3241
Epinastine is a benzazepine that is 6,11-dihydro-5H-dibenzo[b,e]azepine in which the azepine ring is fused to the e side of 4,5-dihydro-1H-imidazol-2-amine. It has a role as a H1-receptor antagonist, a histamine antagonist, an anti-allergic agent and an ophthalmology drug. It is a member of guanidines and a benzazepine.
2D Structure
Properties
C16H15N3
Molecular Formula
249.31
Molecular Weight
g/mol
249.1266
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
41.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
378
Complexity
SMILES
Canonical SMILES
SMILES: C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)NIsomeric SMILES
SMILES: C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)NSynonyms(20)
epinastine80012-43-7EpinastinaEpinastinum(+-)-EpinastinePurivist3-Amino-9,13b-dihydro-1H-dibenz(c,f)imidazo(1,5-a)azepine3-Amino-9,13b-dihydro-1H-dibenz[c,f]imidazo[1,5-a]azepineQ13WX941EFCHEBI:51032WAL-8013-amino-9,13b-dihydro-1H-benz(c,f)imidazo(1,5a)azepineDTXSID2048371R06AX241H-Dibenz(c,f)imidazo(1,5-a)azepin-3-amino, 9,13b-dihydro-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Epinastine
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