AE25270
1094606-34-4 | Cefoperazone sodium
Manufacturer: A2B Chem
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CatalogNumber
AE25270
ChemicalName
Cefoperazone sodium
CasNumber
1094606-34-4
MolecularFormula
C25H26N9NaO8S2
MolecularWeight
667.6492
MdlNumber
MFCD07793331
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.[Na+]
Complexity
1250
Covalently-bondedUnitCount
2
HeavyAtomCount
45
HydrogenBondAcceptorCount
13
HydrogenBondDonorCount
3
RotatableBondCount
9
UndefinedAtomStereocenterCount
3
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CatalogNumber: AE25270
ChemicalName: Cefoperazone sodium
CasNumber: 1094606-34-4
MolecularFormula: C25H26N9NaO8S2
MolecularWeight: 667.6492
MdlNumber: MFCD07793331
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.[Na+]
Complexity: 1250
Covalently-bondedUnitCount: 2
HeavyAtomCount: 45
HydrogenBondAcceptorCount: 13
HydrogenBondDonorCount: 3
RotatableBondCount: 9
UndefinedAtomStereocenterCount: 3
CatalogNumber:
AE25270
ChemicalName:
Cefoperazone sodium
CasNumber:
1094606-34-4
MolecularFormula:
C25H26N9NaO8S2
MolecularWeight:
667.6492
MdlNumber:
MFCD07793331
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.[Na+]
Complexity:
1250
Covalently-bondedUnitCount:
2
HeavyAtomCount:
45
HydrogenBondAcceptorCount:
13
HydrogenBondDonorCount:
3
RotatableBondCount:
9
UndefinedAtomStereocenterCount:
3
CatalogNumber: AE25271
ChemicalName: 2-[(2-Chloroethyl)amino]ethyl benzoate HCl
CasNumber: 100129-68-8
MolecularFormula: C11H15Cl2NO2
MolecularWeight: 264.1483
MdlNumber: MFCD26523331
Smiles: ClCCNCCOC(=O)c1ccccc1.Cl
Complexity: 181
Covalently-bondedUnitCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 7
UndefinedAtomStereocenterCount: __
CatalogNumber:
AE25271
ChemicalName:
2-[(2-Chloroethyl)amino]ethyl benzoate HCl
CasNumber:
100129-68-8
MolecularFormula:
C11H15Cl2NO2
MolecularWeight:
264.1483
MdlNumber:
MFCD26523331
Smiles:
ClCCNCCOC(=O)c1ccccc1.Cl
Complexity:
181
Covalently-bondedUnitCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
__
CatalogNumber: AE25272
ChemicalName: Methyl 4-(propane-1-sulfonamido)benzoate
CasNumber: 1153069-71-6
MolecularFormula: C11H15NO4S
MolecularWeight: 257.3061
MdlNumber: MFCD12487828
Smiles: CCCS(=O)(=O)Nc1ccc(cc1)C(=O)OC
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
UndefinedAtomStereocenterCount: __
CatalogNumber:
AE25272
ChemicalName:
Methyl 4-(propane-1-sulfonamido)benzoate
CasNumber:
1153069-71-6
MolecularFormula:
C11H15NO4S
MolecularWeight:
257.3061
MdlNumber:
MFCD12487828
Smiles:
CCCS(=O)(=O)Nc1ccc(cc1)C(=O)OC
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
__
CatalogNumber: AE25273
ChemicalName: 3-(2-Methylphenyl)pyrazole-5-carboxylic acid
CasNumber: 1140528-29-5
MolecularFormula: C11H10N2O2
MolecularWeight: 202.2093
MdlNumber: MFCD08059586
Smiles: Cc1ccccc1c1[nH]nc(c1)C(=O)O
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
CatalogNumber:
AE25273
ChemicalName:
3-(2-Methylphenyl)pyrazole-5-carboxylic acid
CasNumber:
1140528-29-5
MolecularFormula:
C11H10N2O2
MolecularWeight:
202.2093
MdlNumber:
MFCD08059586
Smiles:
Cc1ccccc1c1[nH]nc(c1)C(=O)O
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__