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(S) -Dimethindene Maleate

CAT: 1596-AR-D07161-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D07161-01Size:10 Units
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CAS Number
136152-65-3
Synonyms
(S) -N, N-dimethyl-2- (3- (1- (pyridin-2-yl) ethyl) -1H-inden-2-yl) ethan-1-amine, maleate (1:1)
Molecular Formula
C20H24N2. C4H4O4
Molecular Weight
292.43 116.07
API Name
Dimetindene

Chemical Information

(S)-(+)-Dimethindene maleate

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CAS Number136152-65-3
PubChem CID56972160
IUPAC Name(Z)-but-2-enedioic acid;N,N-dimethyl-2-[3-[(1S)-1-pyridin-2-ylethyl]-1H-inden-2-yl]ethanamine
Molecular FormulaC24H28N2O4
Molecular Weight408.5
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity517
SMILES
C[C@H](C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C20H24N2.C4H4O4/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20;5-3(6)1-2-4(7)8/h4-10,12,15H,11,13-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m1./s1
InChIKey
SWECWXGUJQLXJF-HFNHQGOYSA-N
Chemical Structure
2D Structure
2D structure of (S)-(+)-Dimethindene maleate
CAS: 136152-65-3
CID: 56972160
Formula: C24H28N2O4
MW: 408.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight408.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass408.20490738
Monoisotopic Mass408.20490738
Topological Polar Surface Area90.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity517
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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