Carumonam sodium

C12H12N6Na2O10S2CAS 86832-68-0510.36 g/mol

Open in Covalent MOL file
NH2OOHNONOO−OSNH2NONSO−OONa+Na+
AmideCarbamateCarboxylic acidLactamOximePrimary amine

Properties

Molecular formula
C12H12N6Na2O10S2
Molar mass
510.36 g/mol
Exact mass
509.9852 Da
logP
-10.55Crippen estimate
Polar surface area
259.6 Ų
H-bond donors / acceptors
3 / 14
Rotatable bonds
9
Stereocentres
S, Sin SMILES atom order
Double bonds
ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
86832-68-0
SMILES
NC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\OCC([O-])=O)c2csc(N)n2)C(=O)N1S([O-])(=O)=O.[Na+].[Na+]
InChIKey
BGGXRVPCJUKHTQ-AHCAJXDVSA-L
InChI
InChI=1S/C12H14N6O10S2.2Na/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26;;/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26);;/q;2*+1/p-2/b17-7-;;/t5-,8+;;/m1../s1

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Names and synonyms

6 names
  • Acetic acid, 2-[[(Z)-[2-[[(2S,3S)-2-[[(aminocarbonyl)oxy]methyl]-4-oxo-1-sulfo-3-azetidinyl]amino]-1-(2-amino-4-thiazolyl)-2-oxoethylidene]amino]oxy]-, sodium salt (1:2)
  • Acetic acid, [[[2-[[2-[[(aminocarbonyl)oxy]methyl]-4-oxo-1-sulfo-3-azetidinyl]amino]-1-(2-amino-4-thiazolyl)-2-oxoethylidene]amino]oxy]-, disodium salt, [2S-[2α,3α(Z)]]-
  • Acetic acid, [[(2Z)-[2-[[(2S,3S)-2-[[(aminocarbonyl)oxy]methyl]-4-oxo-1-sulfo-3-azetidinyl]amino]-1-(2-amino-4-thiazolyl)-2-oxoethylidene]amino]oxy]-, disodium salt
  • Carumonam disodium salt
  • Amasulin
  • Mobactam

Work with Carumonam sodium

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

Ceftizoxime sodium68401-82-145 % similar Cefotaxime sodium64485-93-443 % similar Cefodizime disodium86329-79-542 % similar Aztreonam78110-38-042 % similar Cefixime79350-37-140 % similar Cefovecin sodium141195-77-940 % similar Ceftiofur sodium104010-37-939 % similar Ceftizoxime68401-81-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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