Cas no 56871-82-0 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-methyl-8-oxo-, monosodium salt, (6R,7R)- (9CI))

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-methyl-8-oxo-, monosodium salt, (6R,7R)- (9CI) structure
56871-82-0 structure
Product Name:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-methyl-8-oxo-, monosodium salt, (6R,7R)- (9CI)
CAS No:56871-82-0
MF:C8H9N2NaO3S
MW:236.223431348801
CID:371185
PubChem ID:23678820
Update Time:2025-04-19

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-methyl-8-oxo-, monosodium salt, (6R,7R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-methyl-8-oxo-, monosodium salt, (6R,7R)- (9CI)
    • sodium (6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-3-methyl-8-oxo-, monosodium salt, (6R-trans)-
    • sodium (6R,7R)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    • Sodium (6R-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
    • 56871-82-0
    • DTXSID80205399
    • Sodium(6r-trans)-7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
    • EINECS 260-411-8
    • Inchi： 1S/C8H10N2O3S.Na/c1-3-2-14-7-4(9)6(11)10(7)5(3)8(12)13;/h4,7H,2,9H2,1H3,(H,12,13);/q;+1/p-1/t4-,7-;/m1./s1
    • InChI Key： BCKQLZUUSACLHI-LPNHBSBCSA-M
    • SMILES： S1CC(C)=C(C(=O)[O-])N2C([C@H]([C@@H]12)N)=O.[Na+]

Computed Properties

  • Exact Mass: 236.02327
  • Monoisotopic Mass: 236.023158
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 358
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 112

Experimental Properties

  • Boiling Point: 517.6°Cat760mmHg
  • Flash Point: 266.8°C
  • PSA: 86.46

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-methyl-8-oxo-, monosodium salt, (6R,7R)- (9CI) Related Literature

56871-82-0 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-methyl-8-oxo-, monosodium salt, (6R,7R)- (9CI)) Related Products

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