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Home> Encyclopedia > Hot Product Listed A   > Argatroban
93706-76-4 structure

Argatroban

Iupac Name:(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl) 2-methylprop-2-enoate
CAS No.:93706-76-4
EINECS(EC#): 257-184-2
Molecular Weight:562.223
Molecular Formula:C10H16O2 (isomer)
Names and Identifiers
Synonyms

(2R,4R)-4-Methyl-1-[N-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]-L-arginyl]-2-piperidinecarboxylic acid ARG025 Argipidine DK-7419 MQP MQPA

Inchi
InChI=1S/C15H11F17O3/c1-5(2)7(34)35-4-6(33)3-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h6,33H,1,3-4H2,2H3
InChkey
DCXZWVLJCYXHDV-UHFFFAOYSA-N
Canonical Smiles
CC(=C)C(=O)OCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
Properties
Boiling Point
276.7°Cat760mmHg
Refractive Index
1.341
Safety and Handling
Safety Statements
Hazard Codes FHazard Note Irritant
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin sensitization, Category 1

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P264 Wash ... thoroughly after handling.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/…if you feel unwell.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:562.223g/mol
  • Molecular Formula:C10H16O2
  • Compound Is Canonicalized:True
  • Exact Mass:562.044
  • Monoisotopic Mass:562.044
  • Complexity:799
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:20
  • Heavy Atom Count:35
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:400-666-7788 +86-10-82848833
  • Fax:+86-10-82849933
  • Tel:1 888 463 6346
  • Fax:(908) 359-1179
  • Tel:+81 3 3663 7631
  • Fax:+81 3 3667 8277
  • Tel:(01457) 868921 (4 lines)
  • Fax:(01457) 869360/860927
  • Tel:(852) 23902293
  • Fax:+852 2789 8314
  • Tel:+421 2 62412268
  • Fax:+421 2 62520174
  • Tel:86-571-89925085
  • Fax:86-571-89925065
 
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