Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 1   > 1,2-Dihydro-N-[(3-endo)-8-[(2R)-2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]-8-azabicyclo[3.2.1]...
4685-14-7 structure

1,2-Dihydro-N-[(3-endo)-8-[(2R)-2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]-8-azabicyclo[3.2.1]oct-3-yl]-1-(1-methylethyl)-2-oxo-3-quinolinecarboxamide

Iupac Name:1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium
CAS No.:4685-14-7
Molecular Weight:186.258
Molecular Formula:C12H17N (isomer)
Names and Identifiers
Synonyms

3-quinolinecarboxamide,1,2-dihydro-n-[(3-endo)-8-[(2r)-2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]-8-azabicyclo[3.2.1]oct-3-yl]-1-(1-methylethyl)-2-oxo- 933d462 AN-26931 D09693 KB-71349 MOLPORT-042-665-805 n-[8-[(2r)-2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-isopropyl-2-oxo-quinoline-3-carboxamide n-{8-[(2r)-2-hydroxy-3-(n-methylmethanesulfonamido)propyl]-8-azabicyclo[3.2.1]octan-3-yl}-1-isopropyl-2-oxoquinoline-3-carboxamide SCHEMBL3435390 velusetrag (usan/inn)

Inchi
InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2
InChkey
INFDPOAKFNIJBF-UHFFFAOYSA-N
Canonical Smiles
C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C
Properties
Density
1.37
Flash Point
203.996°C
Safety and Handling
Risk Statements
R26/27/28
Safety Statements
S1;S13;S45
HazardClass
6.1(a)
PackingGroup
II
Transport
2781
Specification

?1,2-Dihydro-N-[(3-endo)-8-[(2R)-2-hydroxy-3-[methyl(methylsulfonyl)amino]propyl]-8-azabicyclo[3.2.1]oct-3-yl]-1-(1-methylethyl)-2-oxo-3-quinolinecarboxamide (CAS NO.866933-46-2) is also named as N-((1R,3R,5S)-8-((2R)-2-hydroxy-3-(methyl(methylsulfonyl)amino)propyl)-8-azabicyclo(3.2.1)oct-3-yl)-1-(1-methylethyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide ; TD 5108 ; TD-5108 ; UNII-J4VNV64ARB ; Velusetrag?;?3-Quinolinecarboxamide, 1,2-dihydro-N-((3-endo)-8-((2R)-2-hydroxy-3-(methyl(methylsulfonyl)amino)propyl)-8-azabicyclo(3.2.1)oct-3-yl)-1-(1-methylethyl)-2-oxo- .

Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Corrosive to metals, Category 1

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Skin irritation, Category 2

Eye irritation, Category 2

Acute toxicity - Inhalation, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

Specific target organ toxicity \u2013 repeated exposure, Category 1

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H290 May be corrosive to metals

H301 Toxic if swallowed

H311 Toxic in contact with skin

H315 Causes skin irritation

H319 Causes serious eye irritation

H330 Fatal if inhaled

H335 May cause respiratory irritation

H372 Causes damage to organs through prolonged or repeated exposure

H410 Very toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P234 Keep only in original packaging.

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.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

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

P284 [In case of inadequate ventilation] wear respiratory protection.

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

P273 Avoid release to the environment.

Response

P390 Absorb spillage to prevent material damage.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

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

P330 Rinse mouth.

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

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

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.

P310 Immediately call a POISON CENTER/doctor/\u2026

P320 Specific treatment is urgent (see ... on this label).

P314 Get medical advice/attention if you feel unwell.

P391 Collect spillage.

Storage

P406 Store in a corrosion resistant/...container with a resistant inner liner.

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:186.258g/mol
  • Molecular Formula:C12H17N
  • Compound Is Canonicalized:True
  • Exact Mass:186.116
  • Monoisotopic Mass:186.116
  • Complexity:145
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:7.8A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzAAAAAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAAB4AAAHAAAAAAADADBGgQ+gJMMEACg AjBnRACCgCAxAiAI2CA4ZJgIIGLAkZGEIAhggADIyAcQAAAOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:0086-10-62800266
  • Fax:0086-010-62800155
  • Tel:+86-571-57153510
  • Fax:
  • Tel:+86-371- 55366292
  • Fax:
  • Tel:021-51320180 021-51320373
  • Fax:021-51320178
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87758773
  • Fax:86-571-86821328
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-188-74586545
  • Fax:86-27-83214668
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:0086-10-62800266
  • Fax:0086-010-62800155
  • Tel:+86-571-57153510
  • Fax:
  • Tel:+86-371- 55366292
  • Fax:
  • Tel:021-51320180 021-51320373
  • Fax:021-51320178
 
<