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1217229-05-4 | Olopatadine-d6 Hydrochloride
CAS No: 1217229-05-4 Catalog No: AG0015MH MDL No:
Product Description
Catalog Number:
AG0015MH
Chemical Name:
Olopatadine-d6 Hydrochloride
CAS Number:
1217229-05-4
Molecular Formula:
C21H18ClD6NO3
Molecular Weight:
379.9101
IUPAC Name:
2-[11-[3-[bis(trideuteriomethyl)amino]propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid;hydrochloride
InChI:
InChI=1S/C21H23NO3.ClH/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24;/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24);1H/i1D3,2D3;
InChI Key:
HVRLZEKDTUEKQH-TXHXQZCNSA-N
SMILES:
OC(=O)Cc1ccc2c(c1)C(=CCCN(C([2H])([2H])[2H])C([2H])([2H])[2H])c1ccccc1CO2.Cl
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.182g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
6
Molecular Weight:
379.914g/mol
Monoisotopic Mass:
379.182g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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