(2R,4R)-1-[(2S)-5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid
Names
[ CAS No. ]:
74874-10-5
[ Name ]:
(2R,4R)-1-[(2S)-5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid
[Synonym ]:
(2R,4R)-4-Methyl-1-{N-[(3-methylquinolin-8-yl)sulfonyl]-N-(N-nitrocarbamimidoyl)-L-ornithyl}piperidine-2-carboxylic acid
N-Nitro-1,2,3,4-tetradehydro Argatroban
MFCD08458426
(2R,4R)-4-Methyl-1-{N-[(3-methyl-8-quinolinyl)sulfonyl]-N-(N-nitrocarbamimidoyl)-L-ornithyl}-2-piperidinecarboxylic acid
2-Piperidinecarboxylic acid, 1-[(2S)-5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-, (2R,4R)-
Chemical & Physical Properties
[ Density]:
1.5±0.1 g/cm3
[ Boiling Point ]:
814.8±75.0 °C at 760 mmHg
[ Melting Point ]:
18 °C
[ Molecular Formula ]:
C23H31N7O7S
[ Molecular Weight ]:
549.600
[ Flash Point ]:
446.6±37.1 °C
[ Exact Mass ]:
549.200562
[ PSA ]:
218.78000
[ LogP ]:
1.53
[ Vapour Pressure ]:
0.0±3.1 mmHg at 25°C
[ Index of Refraction ]:
1.686
[ Water Solubility ]:
practically insoluble
Safety Information
[ Hazard Codes ]:
Xn
[ Risk Phrases ]:
R22:Harmful if swallowed.
[ Safety Phrases ]:
S25
[ RIDADR ]:
1325.0
[ WGK Germany ]:
2
[ RTECS ]:
DG4200000
[ Hazard Class ]:
4.1
[ HS Code ]:
29163100
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 29163100