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Home> Encyclopedia > Hot Product Listed 2   > 2-(Diphenylmethoxy)-N,N-dimethylethylamin-N-oxid, 2-oxo-10-bornansulfonat
18423-42-2 structure

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

Iupac Name:sodium;[[[(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
CAS No.:18423-42-2
EINECS(EC#): 222-638-0
Molecular Weight:505.137
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/C9H16N3O14P3.Na/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18);/q;+1/p-1/t4-,6-,7-,8?;/m1./s1
InChkey
WLXAPABOZXFQTH-YMCBRKDHSA-M
Canonical Smiles
C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)[O-])O)O.[Na+]
Isomers Smiles
C1=CN(C(=O)N=C1N)C2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)
[O-])O)O.[Na+]
Properties
Density
1.16
Boiling Point
340.4°Cat760mmHg
Vapour
1.51E-33mmHg at 25°C
Flash Point
316.7°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:505.137g/mol
  • Molecular Formula:C33H28N4O6
  • Compound Is Canonicalized:True
  • Exact Mass:504.966
  • Monoisotopic Mass:504.966
  • Complexity:867
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:6
  • Hydrogen Bond Acceptor Count:14
  • Topological Polar Surface Area:271A^2
  • Heavy Atom Count:30
  • Defined Atom Stereocenter Count:3
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBzPCMAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHgAQCCAACBThgAYBAANABxCo QCJmdICAAAEAAgAIAAAYABCDEAIAgAAOQAAHFgITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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