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Substance Name: Argatroban [USAN:INN:BAN:JAN]
RN: 141396-28-3
UNII: IY90U61Z3S
InChIKey: AIEZTKLTLCMZIA-CZSXTPSTSA-N

Molecular Formula

  • C23-H36-N6-O5-S.H2-O

Molecular Weight

  • 526.6552
 

Classification Codes

  • Anticoagulant
  • Anticoagulants
  • Antithrombins
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Hematologic Agents
  • Platelet Aggregation Inhibitors
  • Protease Inhibitors
  • Reproductive Effect
  • Serine Proteinase Inhibitors
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Names and Synonyms

Name of Substance

  • Argatroban monohydrate
  • Argatroban [USAN:INN:BAN:JAN]

Synonyms

  • (2R,4R)-4-Methyl-1-(N(sup 2)-((1,2,3,4-tetrahydro-3-methyl-8-quinolyl)sulfonyl)-L-arginyl)pipecolic acid, monohydrate
  • 2-Piperidinecarboxylic acid, 1-(5-((aminoiminomethyl)amino)-1-oxo-2-(((1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl)amino)pentyl)-4-methyl-, monohydrate
  • Acova
  • Argatroban
  • Argatroban In Sodium Chloride
  • Argatroban Injection
  • Argatroban monohydrate
  • DK-7419
  • GN1600
  • MCI-9038
  • MD-805
  • UNII-IY90U61Z3S

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 141396-28-3

FDA UNII

  • IY90U61Z3S

System Generated Number

  • 0141396283

Molecular Formulas

Molecular Formula

  • C23-H36-N6-O5-S.H2-O

Molecular Formula Fragments

  • C23-H36-N6-O5-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H36N6O5S.H2O/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);1H2/t14-,15?,17+,18-;/m1./s1

InChIKey

AIEZTKLTLCMZIA-CZSXTPSTSA-N

Smiles

O.C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c2cccc3CC(C)CNc23

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 475mg/kg (475mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BLOOD: NORMOCYTIC ANEMIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 14(Suppl,
mouse LD50 intravenous > 81mg/kg (81mg/kg) BLOOD: HEMORRHAGE Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 14(Suppl,
mouse LD50 oral > 15gm/kg (15000mg/kg) BLOOD: NORMOCYTIC ANEMIA

BLOOD: HEMORRHAGE
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 14(Suppl,
mouse LD50 subcutaneous 3750mg/kg (3750mg/kg) BLOOD: NORMOCYTIC ANEMIA

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 14(Suppl,
rat LD50 intraperitoneal 320mg/kg (320mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BLOOD: NORMOCYTIC ANEMIA
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 14(Suppl,
rat LD50 intravenous > 81mg/kg (81mg/kg) BLOOD: HEMORRHAGE Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 14(Suppl,
rat LD50 oral > 15gm/kg (15000mg/kg) BLOOD: NORMOCYTIC ANEMIA

BLOOD: HEMORRHAGE
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 14(Suppl,
rat LD50 subcutaneous 620mg/kg (620mg/kg) BLOOD: NORMOCYTIC ANEMIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 14(Suppl,