Aztreonam

C₁₃H₁₇N₅O₈S₂CAS 78110-38-0435.43 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Lactam Oxime

Properties

Molecular formula: C₁₃H₁₇N₅O₈S₂
Molar mass: 435.43 g/mol
Exact mass: 435.0519 Da
logP: -0.50Crippen estimate
Polar surface area: 205.8 Å²
H-bond donors / acceptors: 5 / 9
Rotatable bonds: 7
Stereocentres: S, Sin SMILES atom order

Hazards

Danger

H315 Causes skin irritation16.7% of notifiers
H317 May cause an allergic skin reaction16.7% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled66.7% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure16.7% of notifiers
H400 Very toxic to aquatic life33.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P302+P352, P304+P340, P319, P321, P332+P317, P333+P317, P342+P316, P362+P364, P391, P403, P501

Identifiers

CAS number

78110-38-0

SMILES

C[C@H]1[C@H](N=C(O)/C(=NOC(C)(C)C(=O)O)c2csc(=N)[nH]2)C(=O)N1S(=O)(=O)O

InChIKey

WZPBZJONDBGPKJ-VEHQQRBSSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

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-
Azonam
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-[2α,3β(Z)]]-
2-[[(Z)-[1-(2-Amino-4-thiazolyl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino]-2-oxoethylidene]amino]oxy]-2-methylpropanoic acid
SQ 26776
Azthreonam
Antibiotic squibb 26,776
Squibb 26776
Nebactam
Aztreon
Primbactam

Work with Aztreonam

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(αZ)-2-Amino-α-[[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino]-4-thiazoleacetic acid86299-47-046 % similar Ceftazidime72558-82-845 % similar Ceftazidime dihydrochloride73547-70-344 % similar Ceftazidime pentahydrate78439-06-244 % similar Ceftizoxime68401-81-041 % similar Cefetamet65052-63-341 % similar Cefetamet pivoxil65243-33-640 % similar Cefpodoxime80210-62-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook