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Home> Encyclopedia > Hot Product Listed I   > isomeprobamate-d3
1215602-82-6 structure

isomeprobamate-d3

Iupac Name:[2-(carbamoyloxymethyl)-2-(trideuteriomethyl)pentyl] N-propan-2-ylcarbamate
CAS No.:1215602-82-6
Molecular Weight:263.352
Molecular Formula:C12H24N2O4 (isomer)
Names and Identifiers
Synonyms

2-[(carbamoyloxy)methyl]-2-((2)h?)methylpentyl n-isopropylcarbamate carisoprodol-d3 CTK8F8475 domarax-d3 flexal-d3 n-(1-methylethyl)carbamic acid 2-[[(aminocarbonyl)oxy]methyl]-2-(methyl-d3)pentyl ester nih 10966-d3 n-isopropyl-2-(methyl-d3)-2-propyl-1,3-propanediol dicarbamate nsc 172124-d3 OFZCIYFFPZCNJE-GKOSEXJESA-N somalgit-d3 stialgin-d3

Inchi
InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16)/i4D3
InChkey
OFZCIYFFPZCNJE-GKOSEXJESA-N
Canonical Smiles
CCCC(C)(COC(=O)N)COC(=O)NC(C)C
Computational chemical data
  • Molecular Weight:263.352g/mol
  • Molecular Formula:C12H24N2O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.9
  • Exact Mass:263.192
  • Monoisotopic Mass:263.192
  • Complexity:281
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:90.6A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:3
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADijhgAYCCALABAAI AAAAGAAAAAAAAAAAAIAIAAEAAAIAAAAIAAAFFgAAAACAAAANAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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