AA24203
118443-89-3 | Cefquinome sulfate
Manufacturer: A2B Chem
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CatalogNumber
AA24203
ChemicalName
Cefquinome sulfate
CasNumber
118443-89-3
MolecularFormula
C23H26N6O9S3
MolecularWeight
626.6823
MdlNumber
MFCD11864966
Smiles
[O-]S(=O)(=O)O.CO/N=C(/c1csc(n1)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1cccc2c1CCCC2
Complexity
1050
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
2
DefinedBondStereocenterCount
1
HeavyAtomCount
41
HydrogenBondAcceptorCount
14
HydrogenBondDonorCount
4
RotatableBondCount
7
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CatalogNumber: AA24203
ChemicalName: Cefquinome sulfate
CasNumber: 118443-89-3
MolecularFormula: C23H26N6O9S3
MolecularWeight: 626.6823
MdlNumber: MFCD11864966
Smiles: [O-]S(=O)(=O)O.CO/N=C(/c1csc(n1)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1cccc2c1CCCC2
Complexity: 1050
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 2
DefinedBondStereocenterCount: 1
HeavyAtomCount: 41
HydrogenBondAcceptorCount: 14
HydrogenBondDonorCount: 4
RotatableBondCount: 7
CatalogNumber:
AA24203
ChemicalName:
Cefquinome sulfate
CasNumber:
118443-89-3
MolecularFormula:
C23H26N6O9S3
MolecularWeight:
626.6823
MdlNumber:
MFCD11864966
Smiles:
[O-]S(=O)(=O)O.CO/N=C(/c1csc(n1)N)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1cccc2c1CCCC2
Complexity:
1050
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
2
DefinedBondStereocenterCount:
1
HeavyAtomCount:
41
HydrogenBondAcceptorCount:
14
HydrogenBondDonorCount:
4
RotatableBondCount:
7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NC(=S)C[C@H](N1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NC(=S)C[C@H](N1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AA24210
ChemicalName: 3-Cyclopropyl-3-oxopropanenitrile
CasNumber: 118431-88-2
MolecularFormula: C6H7NO
MolecularWeight: 109.1259
MdlNumber: MFCD04114392
Smiles: N#CCC(=O)C1CC1
Complexity: 149
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
CatalogNumber:
AA24210
ChemicalName:
3-Cyclopropyl-3-oxopropanenitrile
CasNumber:
118431-88-2
MolecularFormula:
C6H7NO
MolecularWeight:
109.1259
MdlNumber:
MFCD04114392
Smiles:
N#CCC(=O)C1CC1
Complexity:
149
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCC(C(=O)c1sc2c(c1)CSC2)CC
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCC(C(=O)c1sc2c(c1)CSC2)CC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__