AJ12874
61270-78-8 | Cefonicid sodium
Manufacturer: A2B Chem
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CatalogNumber
AJ12874
ChemicalName
Cefonicid sodium
CasNumber
61270-78-8
MolecularFormula
C18H16N6Na2O8S3
MolecularWeight
586.5296
MdlNumber
MFCD00941437
Smiles
O=C([C@@H](c1ccccc1)O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nnnn1CS(=O)(=O)[O-].[Na+].[Na+]
Complexity
980
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
3
HeavyAtomCount
37
HydrogenBondAcceptorCount
13
HydrogenBondDonorCount
2
RotatableBondCount
7
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CatalogNumber: AJ12874
ChemicalName: Cefonicid sodium
CasNumber: 61270-78-8
MolecularFormula: C18H16N6Na2O8S3
MolecularWeight: 586.5296
MdlNumber: MFCD00941437
Smiles: O=C([C@@H](c1ccccc1)O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nnnn1CS(=O)(=O)[O-].[Na+].[Na+]
Complexity: 980
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 13
HydrogenBondDonorCount: 2
RotatableBondCount: 7
CatalogNumber:
AJ12874
ChemicalName:
Cefonicid sodium
CasNumber:
61270-78-8
MolecularFormula:
C18H16N6Na2O8S3
MolecularWeight:
586.5296
MdlNumber:
MFCD00941437
Smiles:
O=C([C@@H](c1ccccc1)O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nnnn1CS(=O)(=O)[O-].[Na+].[Na+]
Complexity:
980
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
13
HydrogenBondDonorCount:
2
RotatableBondCount:
7
CatalogNumber: __
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Smiles: [O-]C(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1Cl.[Na+]
Complexity: __
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Smiles:
[O-]C(=O)[C@@H]1N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)c1c(C)onc1c1ccccc1Cl.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C(N([C@@H](C(=O)O)Cc1ccc2c(c1)cccc2)C)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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Smiles:
O=C(N([C@@H](C(=O)O)Cc1ccc2c(c1)cccc2)C)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: C1CC(NC1)(CC2=CC3=CC=CC=C3C=C2)C(=O)O.Cl
Complexity: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CC(NC1)(CC2=CC3=CC=CC=C3C=C2)C(=O)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__