Product Code

TRC-E668002

CAS Number

1346598-13-7

Product Format

Neat

Molecular Formula

C16 D7 H18 N O4 . H Cl

Molecular Weight

338.878

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Unlabelled CAS Number

81161-17-3

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Esmolol-d7 Hydrochloride

CAS Number

1346598-13-7

Molecular Formula

C16 D7 H18 N O4 . H Cl

Molecular Weight

338.878

Accurate Mass

338.199

SMILES

Cl.[2H]C([2H])([2H])C([2H])(NCC(O)COc1ccc(CCC(=O)OC)cc1)C([2H])([2H])[2H]

InChI

InChI=1S/C16H25NO4.ClH/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3;/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3;1H/i1D3,2D3,12D;

IUPAC

methyl 3-[4-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-hydroxypropoxy]phenyl]propanoate;hydrochloride

Unlabelled CAS Number

81161-17-3

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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