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Substance Name: 21R-Argatroban
RN: 121785-71-5
UNII: 0DW7MIH1VX
InChIKey: KXNPVXPOPUZYGB-XYVMCAHJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H36-N6-O5-S

Molecular Weight

  • 508.64
 
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Names and Synonyms

Name of Substance

  • 21R-Argatroban

Synonyms

  • Argatroban
  • UNII-0DW7MIH1VX

Systematic Name

  • 2-Piperidinecarboxylic acid, 1-(5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-, (2R-(1(S*(R*)),2alpha,4beta))-

Registry Numbers

CAS Registry Number

  • 121785-71-5

FDA UNII

  • 0DW7MIH1VX

System Generated Number

  • 0121785715

Structure Descriptors

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

InChIKey

KXNPVXPOPUZYGB-XYVMCAHJSA-N

Smiles

C(=N)(N)NCCC[C@H](NS(c1cccc2c1NC[C@@H](C2)C)(=O)=O)C(=O)N1CC[C@H](C[C@@H]1C(O)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous > 200mg/kg (200mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 21, Pg. 319, 1990.
mouse LD50 intraperitoneal 475mg/kg (475mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 21, Pg. 319, 1990.
mouse LD50 intravenous > 81mg/kg (81mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 21, Pg. 319, 1990.
mouse LD50 oral > 15gm/kg (15000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 21, Pg. 319, 1990.
mouse LD50 subcutaneous 3750mg/kg (3750mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 21, Pg. 319, 1990.
rat LD50 intraperitoneal 320mg/kg (320mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 21, Pg. 319, 1990.
rat LD50 intravenous > 81mg/kg (81mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 21, Pg. 319, 1990.
rat LD50 oral > 15gm/kg (15000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 21, Pg. 319, 1990.
rat LD50 subcutaneous 620mg/kg (620mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 21, Pg. 319, 1990.