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Argatroban monohydrate

Argatroban monohydrate structure

CAS No:
141396-28-3
Formula:
C23H36N6O5S.H2O
Chemical Name:
Argatroban monohydrate
Synonyms:
Argatroban (hydrate);Argatroban (2R,4R)-1-[(2S)-5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic acid;Argatroban (350 mg);(2R,4R)-1-[(2S)-5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic acid hydrate;Argatroban 1-hydrate;AG, SAJ;Agatroban monohydrate;CS-1966
Categories:
Active Pharmaceutical Ingredients > Blood System Drugs

Description

Argatroban monohydrate is a direct, selective thrombin inhibitor.Target: ThrombinArgatroban may have a complementary effect for preventing thrombus formation without aggravating bleeding tendency because of its monotarget specificity to thrombin. Administration (0.5 to 2 micrograms/kg/min) of argatroban is a safe anticoagulant for left heart bypass in repairs of traumatic aortic rupture associated with multiple organ injuries [1]. Argatroban, as compared with heparin, appears to enhance

Argatroban anticoagulant is synthesized from L-arginine and photodegrades under light exposure.

Argatroban monohydrate Basic Attributes

Molecular Weight：

526.65

Exact Mass：

526.257

EC Number：

2017-001-1

DSSTox ID：

DTXSID5057888

Color/Form：

white to off-white

HScode：

29350090

Characteristics

PSA：

190

XLogP3：

log Kow = 1.28 (est)

Appearance：

white to off-white

Density：

1.5±0.1 g/cm3

Melting Point：

176-180°

Flash Point：

438.4±37.1 °C

Refractive Index：

1.674

Water Solubility：

DMSO: ≥20mg/mL

Storage Conditions：

2-8°C

Vapor Pressure：

1.37X10-17 mm Hg at 25 °C (est)

Toxicity：

mouse,LD50,intraperitoneal,475mg/kg (475mg/kg),LUNGS, THORAX, OR RESPIRATION: DYSPNEABLOOD: NORMOCYTIC ANEMIABEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 14(Suppl,

Specific rotation：

D27 +76.1° (c = 1 in 0.2N HCl)

PH：

pH 8.8 (Argatroban solution)

Critical Temperature & Pressure：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36:Irritating to the eyes. R10:Flammable.

safety instructions：

S39-S26-S16

RTECS Number：

TM6126610

Marks：

Stability/Shelf Life：

Stable under recommended storage conditions. /Argatroban monohydrate/

Precautionary statement(s)：

P210, P211, P251, P41, P412

Hazard Statements：

H223

GHS Classification：

|Warning|H223 (100%): Flammable aerosol [Warning Aerosols]|P210, P211, P251, and P410+P412|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Endogenous factors and drugs that directly inhibit the action of THROMBIN, usually by blocking its enzymatic activity. They are distinguished from INDIRECT THROMBIN INHIBITORS, such as HEPARIN, which act by enhancing the inhibitory effects of antithrombins. (See all compounds classified as Antithrombins.)|Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. (See all compounds classified as Platelet Aggregation Inhibitors.)

MeSH Entry Terms：

(21R)-argatroban

Argatroban monohydrate Use and Manufacturing

Anticoagulant.This anticoagulant (FW = 508.64 g/mol; CAS 74863-84-6), also named (2R,4R) -4-methyl-1-N2-[ (3-methyl-1,2,3,4-tetrahydro-8-quinolilyl) sulfon- yl]-L-arginyl-2-piperidine carboxylic acid, Novastan, and MD-805, is adirect thrombin inhibitor (1-11) that is an effective treatment for heparin- induced thrombocytopenia (HIT), an immunoglobulin-mediated adverse drug reaction characterized by platelet activation, thrombocytopenia, and a high risk of thrombotic complications among pati

Argatroban monohydrate has been used as a thrombin-selective inhibitor in the thrombin assay of platelet poor plasma samples. It may be used as a standard in gradient reversed-phase liquid chromatography coupled with high-resolution multistage mass spectrometry (LC/HR-MSn) for photoproducts fragmentation analysis and as a thrombin inhibitor competitive assay with fullerene-based C60 nanoparticle (NPs).

Anticoagulant.

Computed Properties

Molecular Weight:526.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:526.25735413
Monoisotopic Mass:526.25735413
Topological Polar Surface Area:190
Heavy Atom Count:36
Complexity:887
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of Argatroban monohydrate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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