N-[4-(Methylamino)-3-nitrobenzoyl]-N-2-pyridinyl-Beta-alanine-d3 Ethyl Ester Hydrochloride

Analyte Name

N-[4-(Methylamino)-3-nitrobenzoyl]-N-2-pyridinyl-beta-alanine-d3 Ethyl Ester Hydrochloride

CAS Number

2124271-66-3

Molecular Formula

C18H18D3ClN4O5

Molecular Weight

411.85

Accurate Mass

411.1389

SMILES

Cl.[2H]C([2H])([2H])Nc1ccc(cc1[N+](=O)[O-])C(=O)N(CCC(=O)OCC)c2ccccn2

InChI

InChI=1S/C18H20N4O5.ClH/c1-3-27-17(23)9-11-21(16-6-4-5-10-20-16)18(24)13-7-8-14(19-2)15(12-13)22(25)26;/h4-8,10,12,19H,3,9,11H2,1-2H3;1H/i2D3;

IUPAC

ethyl 3-[[3-nitro-4-(trideuteriomethylamino)benzoyl]-pyridin-2-ylamino]propanoate;hydrochloride

Alternate CAS Number

1187067-68-0 ; Free Base: 2124271-65-2

Unlabelled CAS Number

1187067-68-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat