Chem
J-GLOBAL ID:200907045726015698   Nikkaji number:J69.894F

Argatroban

アルガトロバン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Mixture
Molecular formula: C23H36N6O5S
Molecular formula furigana: C23-H36-N6-O5-S
Molecular weight: 508.640
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
InChI key: KXNPVXPOPUZYGB-IOVMHBDKSA-N
SMILES: C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1cccc2CC(C)CNc12
Systematic name  (1):
  • rac-(2R,4R)-1-[(2S)-5-カルバムイミドアミド-2-[(3R*)-3-メチル-1,2,3,4-テトラヒドロキノリン-8-スルホンアミド]ペンタノイル]-4-メチルピペリジン-2-カルボン酸
Other name (29):
  • (2R,4R)-1-[(2S)-5-Guanidino-2-(1,2,3,4-tetrahydro-3-methylquinolin-8-ylsulfonylamino)valeryl]-4-methylpiperidine-2-carboxylic acid
  • (2R)-1-[Nα-(3-Methyl-1,2,3,4-tetrahydroquinoline-8-ylsulfonyl)-L-arginyl]-4α-methylpiperidine-2β-carboxylic acid
  • MD-805
  • アルギピジン
  • Argatroban
Show all
Component Nikkaji number  (2):
CAS registry number: 74863-84-6
Regulation number (2):
  • 8-(1)-1732
  • 8-(1)-3139
KEGG COMPOUND: C04931
Application (2):
platelet aggregation inhibitor ,  antithrombin
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