Cas no 80951-91-3 (Propanoic acid,2-[[[1-(2-amino-4-thiazolyl)-2-[(2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino]-2-oxoethylidene]amino]oxy]-2-methyl-,[2R-[2a,3a(Z)]]- (9CI))

Propanoic acid,2-[[[1-(2-amino-4-thiazolyl)-2-[(2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino]-2-oxoethylidene]amino]oxy]-2-methyl-,[2R-[2a,3a(Z)]]- (9CI) structure
80951-91-3 structure
Product Name:Propanoic acid,2-[[[1-(2-amino-4-thiazolyl)-2-[(2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino]-2-oxoethylidene]amino]oxy]-2-methyl-,[2R-[2a,3a(Z)]]- (9CI)
CAS No:80951-91-3
MF:C13H17N5O8S2
MW:435.43278002739
CID:707940
PubChem ID:5742832
Update Time:2025-04-19

Propanoic acid,2-[[[1-(2-amino-4-thiazolyl)-2-[(2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino]-2-oxoethylidene]amino]oxy]-2-methyl-,[2R-[2a,3a(Z)]]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,2-[[[1-(2-amino-4-thiazolyl)-2-[(2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino]-2-oxoethylidene]amino]oxy]-2-methyl-,[2R-[2a,3a(Z)]]- (9CI)
    • aztreonam
    • Propanoic acid,2-[[[1-(2-amino-4-thiazolyl)-2-[(2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino]-2-oxoethylidene]amino]oxy]-2-methy
    • ARGININE STERILE COMPOUND POWDER
    • SQ-26776
    • BRD-K62607865-001-03-0
    • HY-B0129
    • 2-((((E)-1-(2-aminothiazol-4-yl)-2-(((2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl)amino)-2-oxoethylidene)amino)oxy)-2-methylpropanoic acid
    • 2-{[(Z)-[(2-amino-1,3-thiazol-4-yl)({[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]carbamoyl})methylidene]amino]oxy}-2-methylpropanoic acid
    • AKOS015961777
    • Propanoic acid, 2-[[(Z)-[1-(2-amino-4-thiazolyl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino]-2-oxoethylidene]amino]oxy]-2-methyl-
    • Aztreonamum (Latin)
    • HMS3712F11
    • (Z)-2-((((2-Amino-4-thiazolyl)(((2S,3S)-2-methyl-4-oxo-1-sulfo-3-azetidinyl)carbamoyl)methylene)amino)oxy)-2-methylpropionic acid
    • NCGC00179656-01
    • Propanoic acid, 2-(((1-(2-amino-4-thiazolyl)-2-((2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino)-2-oxoethylidene)amino)oxy)-2-methyl-, (2S-(2alpha,3beta(Z)))-
    • Cayston
    • BCP9000372
    • Aztreonam, Pharmaceutical Secondary Standard; Certified Reference Material
    • 149496-40-2
    • (2S,3S)-3-((2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-((2-carboxypropan-2-yloxy)imino)acetamido)-2-methyl-4-oxoazetidine-1-sulfonate
    • 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-{[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino}-2-oxoethylidene]amino}oxy)-2-methylpropanoic acid
    • AZTREONAM [ORANGE BOOK]
    • G2B4VE5GH8
    • Azetreonam
    • MLS006011974
    • MFCD00072145
    • EN300-22411481
    • AKOS015840157
    • EINECS 278-839-9
    • DTXCID602640
    • SMR004703537
    • SMR002204030
    • rel-Aztreonam
    • BIDD:GT0765
    • Aztreonam E-Isomer
    • 78110-38-0
    • BRN 3577211
    • AZTREONAM [JAN]
    • AZTREONAM [USP MONOGRAPH]
    • Az threonam
    • (Z,)-2-((((2-Amino-4-thiazolyl)(((2S,3S,)-2-methyl-4-oxo-1-sulfo-3-azetidinyl)carbamoyl)methylene)amino)oxy)-2-methylpropionic acid
    • (z)-2-[[[(2-amino-4-thiazolyl)[[(2s,3s)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]carbamoyl]methylene]amino]oxy]-2-methylpropionic acid
    • PROPANOIC ACID, 2-(((1-(2-AMINO-4-THIAZOLYL)-2-((2-METHYL-4-OXO-1-SULFO-3-AZETIDINYL)AMINO)-2-OXOETHYLIDENE)AMINO)OXY)-2-METHYL-, (2S-(2.ALPHA.,3.BETA.(Z)))-
    • AZTREONAM (USP-RS)
    • Aztreonam, analytical standard
    • Prestwick2_000185
    • CS-1902
    • AZTREONAM [USP-RS]
    • 80951-91-3
    • HMS2090K09
    • Azactam
    • BPBio1_000121
    • 2-[(Z)-[1-(2-aminothiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfo-azetidin-3-yl]amino]-2-oxo-ethylidene]amino]oxy-2-methyl-propanoic acid
    • HMS2095F11
    • DTXSID0022640
    • AZTREONAM (USP MONOGRAPH)
    • UNII-G2B4VE5GH8
    • Squibb 26,776
    • Primbactam
    • (2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)imino]ethanoyl}amino)-2-methyl-4-oxoazetidine-1-sulfonate
    • BDBM50240480
    • AZTREONAM (MART.)
    • SR-01000841814-3
    • NSC 646279
    • MLS003915628
    • 2-[[(Z)-[1-(2-Amino-4-thiazolyl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino]-2-oxoethylidene]amino]oxy]-2-methylpropionic Acid
    • CHEMBL158
    • SQ 26776
    • Dynabiotic
    • SQ26776
    • (2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-[(1-carboxy-1-methylethoxy)imino]ethanoyl}amino)-2-methyl-4-oxoazetidine-1-sulfonate(aztreonam)
    • AS-13760
    • Squibb 26776
    • AZTREONAM [WHO-DD]
    • AZTREONAM [MART.]
    • Aztreonamum
    • Nebactam
    • BCPP000356
    • Aztreonam, United States Pharmacopeia (USP) Reference Standard
    • 2-[1-(2-Amino-thiazol-4-yl)-1-((2S,3S)-2-methyl-4-oxo-1-sulfo-azetidin-3-ylcarbamoyl)-meth-(Z)-ylideneaminooxy]-2-methyl-propionic acid
    • CCG-220185
    • NSC-646279
    • AZTREONAM [MI]
    • S1505
    • 2-Aminothiazol-4-yl)-2-((2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-ylamino)-2-oxoethylideneaminooxy)-2-methylpropanoic acid
    • Antibiotic squibb 26,776
    • 2-((((Z)-1-(2-aminothiazol-4-yl)-2-(((2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl)amino)-2-oxoethylidene)amino)oxy)-2-methylpropanoic acid
    • 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
    • AZTREONAM [USAN]
    • Azthreonam
    • AC-4330
    • AZTREONAM [INN]
    • AZACTAM IN PLASTIC CONTAINER
    • 2-((Z)-(2-Aminothiazol-4-yl)-((2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-ylcarbamoyl)methyleneaminooxy)-2-methyl-1-propanoic acid
    • Az-threonam
    • HMS1568F11
    • (Z)-2-[[[(2-Amino-4-thiazolyl)[[(2S,3S)-2-methyl-4-oxo-1-sulfo-3- azetidinyl]carbamoyl]methylene]amino]oxy]-2-methylpropionic acid
    • CHEBI:161680
    • Azonam
    • AZTREONAM [VANDF]
    • Aztreon
    • [2S-[2alpha,3beta(Z)]]-2-[[[1-(2-Amino-4-thiazolyl)-2-[(2-methyl-4-oxo-1-sulfo-3-azetidinyl)amino]-2-oxoethylidene]amino]oxy]-2-methylpropanoic acid
    • Aztreonam (USAN:USP:INN:BAN:JAN)
    • Prestwick_914
    • NSC646279
    • BSPBio_000109
    • SR-01000841814-2
    • SR-01000841814
    • 2-((((1Z)-1-(2-amino-1,3-thiazol-4-yl) -2- (((2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl)amino) -2- oxoethylidene)amino)oxy)-2-methylpropanoic acid
    • J01DF01
    • 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid
    • SO 26776
    • Q27262730
    • Prestwick3_000185
    • NSC-758913
    • Inchi: 1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
    • InChI Key: WZPBZJONDBGPKJ-VEHQQRBSSA-N
    • SMILES: S(N1C([C@H]([C@@H]1C)NC(/C(/C1=CSC(N)=N1)=N\OC(C(=O)O)(C)C)=O)=O)(=O)(=O)O

Computed Properties

  • Exact Mass: 435.05185486g/mol
  • Monoisotopic Mass: 435.05185486g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 7
  • Complexity: 808
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 238?2
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