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Argatroban-[d3]

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General Information
Catalog: BLP-011790
CAS: 1356847-56-7
Molecular Formula: C23H33D3N6O5S
Molecular Weight: 511.66

Chemical Structure

Description	Argatroban-[d3] is the labelled analogue of Argatroban. Argatroban is a direct thrombin inhibitor used as an anticoagulant.
Synonyms	Argatroban D3; (2R,4R)-1-[(2S)-5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-(methyl-d3)-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic Acid; Argipidine-d3; MQPA-d3
IUPAC Name	(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[3-(trideuteriomethyl)-1,2,3,4-tetrahydroquinolin-8-yl]sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
Related CAS	74863-84-6 (unlabelled)
Canonical SMILES	CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C
InChI	InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1/i2D3
InChI Key	KXNPVXPOPUZYGB-HKEDOSAWSA-N
Melting Point	188-189°C
Purity	>95%
Solubility	Soluble in Water
Appearance	White Solid
Storage	Store at -20°C