AE18278
113826-44-1 | Cefoperazone dihydrate
Manufacturer: A2B Chem
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CatalogNumber
AE18278
ChemicalName
Cefoperazone dihydrate
CasNumber
113826-44-1
MolecularFormula
C25H31N9O10S2
MolecularWeight
681.6979
MdlNumber
MFCD17171280
Smiles
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c1ccc(cc1)O)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C.O.O
Complexity
1250
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
3
HeavyAtomCount
46
HydrogenBondAcceptorCount
15
HydrogenBondDonorCount
6
RotatableBondCount
9
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CatalogNumber: AE18278
ChemicalName: Cefoperazone dihydrate
CasNumber: 113826-44-1
MolecularFormula: C25H31N9O10S2
MolecularWeight: 681.6979
MdlNumber: MFCD17171280
Smiles: CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c1ccc(cc1)O)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C.O.O
Complexity: 1250
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 46
HydrogenBondAcceptorCount: 15
HydrogenBondDonorCount: 6
RotatableBondCount: 9
CatalogNumber:
AE18278
ChemicalName:
Cefoperazone dihydrate
CasNumber:
113826-44-1
MolecularFormula:
C25H31N9O10S2
MolecularWeight:
681.6979
MdlNumber:
MFCD17171280
Smiles:
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c1ccc(cc1)O)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSc1nnnn1C.O.O
Complexity:
1250
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
46
HydrogenBondAcceptorCount:
15
HydrogenBondDonorCount:
6
RotatableBondCount:
9
CatalogNumber: __
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Smiles: CC[Hg]Cl
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Smiles:
CC[Hg]Cl
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Smiles: CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CCCN=C(N)N)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)CCSC)CO
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Smiles:
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC(C)C)CCCN=C(N)N)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)CCSC)CO
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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MolecularFormula: __
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Smiles: OCCOCCC(=O)O.[N]
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CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OCCOCCC(=O)O.[N]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__