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Product Overview

Product Code

TRC-N565115

CAS Number

74874-10-5

Product Format

Neat

Molecular Formula

C23 H31 N7 O7 S

Molecular Weight

549.60

API Family

Argatroban

Product Categories

TRC, Impurity Reference Materials , API Reference Standards & Research Materials

Product Type

API

Documentation

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Product Information

Chemical Data

Analyte Name

N-Nitro-1,2,3,4-tetradehydroargatroban

CAS Number

74874-10-5

Molecular Formula

C23 H31 N7 O7 S

Molecular Weight

549.60

Accurate Mass

549.2006

SMILES

C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NS(=O)(=O)c2cccc3cc(C)cnc23

InChI

InChI=1S/C23H31N7O7S/c1-14-8-10-29(18(12-14)22(32)33)21(31)17(6-4-9-25-23(24)27-30(34)35)28-38(36,37)19-7-3-5-16-11-15(2)13-26-20(16)19/h3,5,7,11,13-14,17-18,28H,4,6,8-10,12H2,1-2H3,(H,32,33)(H3,24,25,27)/t14-,17+,18-/m1/s1

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Argatroban

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Product Overview

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

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