Alcaftadine
11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde
Molecular Identity
Alcaftadine
11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carbaldehyde
PubChem CID: 19371515
Alcaftadine is an imidazobenzazepine that is 6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine substituted at position 3 by a formyl group and at position 11 by a 1-methylpiperidin-4-ylidene group. An antihistamine used for treatment of allergic conjunctivitis. It has a role as a H1-receptor antagonist and an anti-allergic agent. It is an aldehyde, a member of piperidines, a tertiary amino compound and an imidazobenzazepine.
2D Structure
Properties
C19H21N3O
Molecular Formula
307.40
Molecular Weight
g/mol
307.1685
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
38.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
3
H-Bond Acceptors
479
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCC(=C2C3=CC=CC=C3CCN4C2=NC=C4C=O)CC1Isomeric SMILES
SMILES: CN1CCC(=C2C3=CC=CC=C3CCN4C2=NC=C4C=O)CC1Synonyms(20)
Alcaftadine147084-10-4LastacaftalcaftadinaR-89674alcaftadinumR896747Z8O94ECSXR 89674CHEBI:71023DTXSID8059845511-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine-3-carbaldehyde5H-IMIDAZO(2,1-B)(3)BENZAZEPINE-3-CARBOXALDEHYDE, 6,11-DIHYDRO-11-(1-METHYL-4-PIPERIDINYLIDENE)-5H-Imidazo[2,1-b][3]benzazepine-3-carboxaldehyde, 6,11-dihydro-11-(1-methyl-4-piperidinylidene)-11-(1-methylpiperidin-4-ylidene)-5,6-dihydroimidazo(2,3-b)(3)benzazepine-3-carbaldehyde
Data from PubChem (NCBI)
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