Cas no 73600-90-5 (Tetrodotoxin,11-[(carboxymethyl)amino]-11-deoxy-, labeled with tritium (9CI))

Tetrodotoxin,11-[(carboxymethyl)amino]-11-deoxy-, labeled with tritium (9CI) structure
73600-90-5 structure
Product Name:Tetrodotoxin,11-[(carboxymethyl)amino]-11-deoxy-, labeled with tritium (9CI)
CAS No:73600-90-5
MF:C13H20N4O9
MW:376.319303512573
CID:575769
PubChem ID:156020
Update Time:2025-04-19

Tetrodotoxin,11-[(carboxymethyl)amino]-11-deoxy-, labeled with tritium (9CI) Chemical and Physical Properties

Names and Identifiers

    • Tetrodotoxin,11-[(carboxymethyl)amino]-11-deoxy-, labeled with tritium (9CI)
    • 73600-90-5
    • Tetrodotoxin, 11-((carboxymethyl)amino)-11-deoxy-, labeled with tritium
    • Inchi: 1S/C13H20N4O9/c14-10-16-8(21)4-6-11(23,2-15-1-3(18)19)7-5(20)12(4,17-10)9(22)13(24,25-6)26-7/h4-9,15,20-24H,1-2H2,(H,18,19)(H3,14,16,17)
    • InChI Key: RSCVPTMBAMYFEH-UHFFFAOYSA-N
    • SMILES: O1C2(C(C34C(C(C(CNCC(=O)O)(C1C3C(N=C(N)N4)O)O)O2)O)O)O

Computed Properties

  • Exact Mass: 376.12302823g/mol
  • Monoisotopic Mass: 376.12302823g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 4
  • Complexity: 678
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 9
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -8.4
  • Topological Polar Surface Area: 219?2
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