Basic information
- CAS
104023-63-4- Standard SMILES
Cn1[nH]c(=O)c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@H](N=c3ccn(Cc4ccccc4)cc3)[C@H]2SC1.[Na+]- InChIKey
HXSQWCAKUWKQMD-OTCZLQCGSA-M- Molecular formula
- C24H21N6NaO5S2
- Average molar mass
- 560.6 g/mol
- Monoisotopic mass
- 560.09125442
Names & identifiers
- Preferred name
- Pyridinium, 4-((2-carboxy-8-oxo-3-(((1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-en-7-yl)amino)-1-(phenylmethyl)-, hydroxide, inner salt, monosodium salt, (6R-trans)-
- IUPAC
- sodium (6R,7S)-7-[(1-benzyl-4-pyridinylidene)amino]-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- English name
- sodium (6R,7S)-7-[(1-benzylpyridin-4-ylidene)amino]-3-[(2-methyl-5,6-d ioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4 .2.0]oct-2-ene-2-carboxylate
- Molecular formula
- C24H21N6NaO5S2
- Molecular weight
- 0
Names & synonyms
104023-63-4L-652813Pyridinium, 4-((2-carboxy-8-oxo-3-(((1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-en-7-yl)amino)-1-(phenylmethyl)-, hydroxide, inner salt, monosodium salt, (6R-trans)-L 652813sodium (6R,7S)-7-[(1-benzylpyridin-4-ylidene)amino]-3-[(2-methyl-5,6-d ioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4 .2.0]oct-2-ene-2-carboxylate
Database identifiers
- CAS
104023-63-4- PubChem CID
- 128484
Properties
Computed structural properties
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,150
Chemistry & industry
Applications
DescriptionL 652813 is a quaternary heterocyclylamino beta-lactam.
Suppliers4 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
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Compound notes
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