Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 2   > 2-(Diphenylmethoxy)-N,N-dimethylethylamin-N-oxid, 2-oxo-10-bornansulfonat
2557-49-5 structure

2-(Diphenylmethoxy)-N,N-dimethylethylamin-N-oxid, 2-oxo-10-bornansulfonat

Iupac Name:(6S,8S,9R,10S,11S,13S,14S,16S,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
CAS No.:2557-49-5
EINECS(EC#): 222-638-0
Molecular Weight:410.458
Molecular Formula:C33H28N4O6 (isomer)
Names and Identifiers
Synonyms

(r)-camphorsulfonic acid 2-(diphenylmethoxy)-n,n-dimethylethanamine oxide 3L1FU2EO79 Amoxydramine amoxydramine camsilate amoxydramini camsylas cansilato de amoxidramina SCHEMBL2734606

Inchi
InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1
InChkey
WXURHACBFYSXBI-XHIJKXOTSA-N
Canonical Smiles
CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)F
Isomers Smiles
C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]
1(C(=O)CO)O)C)O)F)C)F
Properties
Density
1.16
Melting Point
228-239 °C
Boiling Point
340.4°Cat760mmHg
Vapour
2.33E-15mmHg at 25°C
Refractive Index
1.579?
Flash Point
316.7°C
HS Code
2937229000
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H319 Causes serious eye irritation

H332 Harmful if inhaled

H361 Suspected of damaging fertility or the unborn child

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:410.458g/mol
  • Molecular Formula:C33H28N4O6
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.9
  • Exact Mass:410.19
  • Monoisotopic Mass:410.19
  • Complexity:839
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:94.8A^2
  • Heavy Atom Count:29
  • Defined Atom Stereocenter Count:9
  • 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: AAADceB4OYAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwAACAAAD1SggAICAAAAAgCI AqBSAAIAAAAgAAAICAFAAEgAEBIAAQAAQAAFgAAIAYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAA AA==
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87758665
  • Fax:86-571-86821328
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-27-83214668
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
  • Fax:
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-59009407
  • Fax:86-27-59707018
Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87758665
  • Fax:86-571-86821328
  • Tel:86-571-85829152
  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-27-83214668
  • Fax:86-27-83214668
  • Tel:+86-025-58535435
  • Fax:
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-27-59009407
  • Fax:86-27-59707018
 
<