(2S,4S)-Argatroban

Modify Date: 2025-09-19 08:39:03

(2S,4S)-Argatroban Structure
(2S,4S)-Argatroban structure
Common Name (2S,4S)-Argatroban
CAS Number 189264-03-7 Molecular Weight 508.634
Density 1.5±0.1 g/cm3 Boiling Point 801.3±75.0 °C at 760 mmHg
Molecular Formula C23H36N6O5S Melting Point N/A
MSDS N/A Flash Point 438.4±37.1 °C

 Names

Name (2S,4S)-Argatroban
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 801.3±75.0 °C at 760 mmHg
Molecular Formula C23H36N6O5S
Molecular Weight 508.634
Flash Point 438.4±37.1 °C
Exact Mass 508.246796
PSA 186.09000
LogP 2.56
Vapour Pressure 0.0±3.0 mmHg at 25°C
Index of Refraction 1.674
InChIKey KXNPVXPOPUZYGB-OBHHBEAMSA-N
SMILES CC1CNc2c(cccc2S(=O)(=O)NC(CCCN=C(N)N)C(=O)N2CCC(C)CC2C(=O)O)C1

 Synonyms

1-{N-(Diaminomethylene)-N-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]ornithyl}-4-methyl-2-piperidinecarboxylic acid
2-Piperidinecarboxylic acid, 1-[5-[(diaminomethylene)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-
1-{N-(diaminomethylidene)-N-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl]ornithyl}-4-methylpiperidine-2-carboxylic acid
(2S,4S)-1-[5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
2-Piperidinecarboxylic acid, 1-(5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-
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