N-Nitro-1,2,3,4-tetradehydro Argatroban Ethyl Ester

Analyte Name

N-Nitro-1,2,3,4-tetradehydro Argatroban Ethyl Ester

CAS Number

74874-09-2

Molecular Formula

C25 H35 N7 O7 S

Molecular Weight

577.65

Accurate Mass

577.2319

SMILES

CCOC(=O)[C@H]1C[C@H](C)CCN1C(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NS(=O)(=O)c2cccc3cc(C)cnc23

InChI

InChI=1S/C25H35N7O7S/c1-4-39-24(34)20-14-16(2)10-12-31(20)23(33)19(8-6-11-27-25(26)29-32(35)36)30-40(37,38)21-9-5-7-18-13-17(3)15-28-22(18)21/h5,7,9,13,15-16,19-20,30H,4,6,8,10-12,14H2,1-3H3,(H3,26,27,29)/t16-,19+,20-/m1/s1

IUPAC

ethyl (2R,4R)-4-methyl-1-[(2S)-2-[(3-methylquinolin-8-yl)sulfonylamino]-5-[(N-nitrocarbamimidoyl)amino]pentanoyl]piperidine-2-carboxylate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

Impurity Type

Intermediate

API Family

Argatroban

Purity

>95% (HPLC)