Home Other Building Blocks Chlorpheniramine-D6 Maleate Salt

Chlorpheniramine-D6 Maleate Salt

CAS No.:
1219806-45-7
Catalog Number:
AG0016HS
Molecular Formula:
C20H17ClD6N2O4
Molecular Weight:
396.8976
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Product Description
Catalog Number:
AG0016HS
Chemical Name:
Chlorpheniramine-D6 Maleate Salt
CAS Number:
1219806-45-7
Molecular Formula:
C20H17ClD6N2O4
Molecular Weight:
396.8976
MDL Number:
MFCD09840267
IUPAC Name:
[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-bis(trideuteriomethyl)azanium;4-hydroxy-4-oxobut-2-enoate
InChI:
InChI=1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/i1D3,2D3;
InChI Key:
DBAKFASWICGISY-TXHXQZCNSA-N
SMILES:
Clc1ccc(cc1)C(c1ccccn1)CCN(C([2H])([2H])[2H])C([2H])([2H])[2H].OC(=O)C=CC(=O)O
Properties
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.172g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
6  
Molecular Weight:
396.901g/mol
Monoisotopic Mass:
396.172g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
Properties