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Home> Encyclopedia >   /  Antibiotic and antimicrobial agents  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Pharmaceuticals and Biochemicals  /  Organic Intermediates
Ruthenium, bis(2,2'-bipyridine-κN1,κN1')[L-glutamato(2-)-κN](trimethylphosphine)-, (OC-6-23)-, compd. with sodium hexafluorophosphate(1-) (1:2:2) structure
Ruthenium, bis(2,2'-bipyridine-κN1,κN1')[L-glutamato(2-)-κN](trimethylphosphine)-, (OC-6-23)-, compd. with sodium hexafluorophosphate(1-) (1:2:2) structure

Ruthenium, bis(2,2'-bipyridine-κN1,κN1')[L-glutamato(2-)-κN](trimethylphosphine)-, (OC-6-23)-, compd. with sodium hexafluorophosphate(1-) (1:2:2)

Iupac Name:7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CAS No.:82419-36-1
Molecular Weight:361.37
1. Names and Identifiers
1.1 Name
Ruthenium, bis(2,2'-bipyridine-κN1,κN1')[L-glutamato(2-)-κN](trimethylphosphine)-, (OC-6-23)-, compd. with sodium hexafluorophosphate(1-) (1:2:2)
1.2 Synonyms

(Bis(2,2'-bipyridine-N,N')trimethylphosphine)-(S)-1-aminopropane-1,3-dicarboxylicacidruthenium(2+)complexsodiumhexafluorophosphatesalt

1.3 CAS No.
82419-36-1
1.4 CID
4583
1.5 Molecular Formula
C28H14O4 (isomer)
1.6 Inchi
InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
1.7 InChkey
GSDSWSVVBLHKDQ-UHFFFAOYSA-N
1.8 Canonical Smiles
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O
1.9 Isomers Smiles
CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O
2. Properties
3.1 Melting point
270-2750C
3.1 Refractive index
1.669
3.1 Vapour pressure
9.84X10-13 mm Hg at 25 °C (est)
3.1 Precise Quality
361.143799
3.1 PSA
75.01000
3.1 logP
1.54690
3.1 Water Solubility
Soluble in water to 20 mM
3. Safety and Handling
4.1 Risk Statements
22-42/43-68-36/37/38
4.1 Safety Statements
26-36/37/39-24/25-22-37/39-60
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
3
4.1 RTECS
UU8815550
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

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)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

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

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

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

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

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

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

P332+P313 If skin irritation occurs: Get medical advice/attention.

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/\u2026if you feel unwell.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:361.37g/mol
  • Molecular Formula:C28H14O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:361.14378429
  • Monoisotopic Mass:361.14378429
  • Complexity:634
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:73.3
  • Heavy Atom Count:26
  • 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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