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Des Carbaldehyde Alcaftadine

CAT: 1596-AR-A01600-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A01600-01Size:10 Units
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CAS Number
147083-12-3
Synonyms
11- (1-methylpiperidin-4-yl) -6,11-dihydro-5H-benzo[d]imidazo[1,2-a]azepine
Molecular Formula
C18H23N3
Molecular Weight
281.4
API Name
Alcaftadine

Chemical Information

Des Carbaldehyde Alcaftadine
CAS Number147083-12-3
PubChem CID19371502
IUPAC Name11-(1-methylpiperidin-4-yl)-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine
Molecular FormulaC18H23N3
Molecular Weight281.4
XLogP2.5
Topological Polar Surface Area21.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity350
SMILES
CN1CCC(CC1)C2C3=CC=CC=C3CCN4C2=NC=C4
InChI
InChI=1S/C18H23N3/c1-20-10-6-15(7-11-20)17-16-5-3-2-4-14(16)8-12-21-13-9-19-18(17)21/h2-5,9,13,15,17H,6-8,10-12H2,1H3
InChIKey
PAVVDCZCMHQYAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Des Carbaldehyde Alcaftadine
CAS: 147083-12-3
CID: 19371502
Formula: C18H23N3
MW: 281.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.4
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass281.189197746
Monoisotopic Mass281.189197746
Topological Polar Surface Area21.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity350
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A16393-50Alcaftadine 50mg
A16393-200Alcaftadine 200mg
A16393-100Alcaftadine 100mg

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