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))
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
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) Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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