AD74787
118081-34-8 | Ceftibuten dihydrate
Manufacturer: A2B Chem
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CatalogNumber
AD74787
ChemicalName
Ceftibuten dihydrate
CasNumber
118081-34-8
MolecularFormula
C15H18N4O8S2
MolecularWeight
446.4554
MdlNumber
MFCD00864918
Smiles
OC(=O)CC=C(C(=O)NC1C(=O)N2C1SCC=C2C(=O)O)c1csc(n1)N.O.O
Complexity
755
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
6
RotatableBondCount
6
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CatalogNumber: AD74787
ChemicalName: Ceftibuten dihydrate
CasNumber: 118081-34-8
MolecularFormula: C15H18N4O8S2
MolecularWeight: 446.4554
MdlNumber: MFCD00864918
Smiles: OC(=O)CC=C(C(=O)NC1C(=O)N2C1SCC=C2C(=O)O)c1csc(n1)N.O.O
Complexity: 755
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 6
RotatableBondCount: 6
CatalogNumber:
AD74787
ChemicalName:
Ceftibuten dihydrate
CasNumber:
118081-34-8
MolecularFormula:
C15H18N4O8S2
MolecularWeight:
446.4554
MdlNumber:
MFCD00864918
Smiles:
OC(=O)CC=C(C(=O)NC1C(=O)N2C1SCC=C2C(=O)O)c1csc(n1)N.O.O
Complexity:
755
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
6
RotatableBondCount:
6
CatalogNumber: __
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Smiles: CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CCC(=O)N)CC(=O)N)Cc1ccc(cc1)O)C
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Smiles:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CCC(=O)N)CC(=O)N)Cc1ccc(cc1)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
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Smiles: CC1=NN(C(=O)C1)c1ccc(cc1C)S(=O)(=O)O
Complexity: __
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Smiles:
CC1=NN(C(=O)C1)c1ccc(cc1C)S(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Smiles: [O-][N+](=O)c1ccc2c(c1)OCCOCCOc1c(OCCOCCO2)cccc1
Complexity: __
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HeavyAtomCount: __
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CatalogNumber:
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
[O-][N+](=O)c1ccc2c(c1)OCCOCCOc1c(OCCOCCO2)cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__