AB47860
134523-03-8 | Atorvastatin Hemicalcium
Manufacturer: A2B Chem
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CatalogNumber
AB47860
ChemicalName
Atorvastatin Hemicalcium
CasNumber
134523-03-8
MolecularFormula
C66H68CaF2N4O10
MolecularWeight
1155.3417264000007
MdlNumber
MFCD09752074
Smiles
O[C@@H](C[C@H](CC(=O)[O-])O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1.O[C@@H](C[C@H](CC(=O)[O-])O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1.[Ca+2]
Complexity
817
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
4
HeavyAtomCount
83
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
6
RotatableBondCount
22
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CatalogNumber: AB47860
ChemicalName: Atorvastatin Hemicalcium
CasNumber: 134523-03-8
MolecularFormula: C66H68CaF2N4O10
MolecularWeight: 1155.3417264000007
MdlNumber: MFCD09752074
Smiles: O[C@@H](C[C@H](CC(=O)[O-])O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1.O[C@@H](C[C@H](CC(=O)[O-])O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1.[Ca+2]
Complexity: 817
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 83
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 6
RotatableBondCount: 22
CatalogNumber:
AB47860
ChemicalName:
Atorvastatin Hemicalcium
CasNumber:
134523-03-8
MolecularFormula:
C66H68CaF2N4O10
MolecularWeight:
1155.3417264000007
MdlNumber:
MFCD09752074
Smiles:
O[C@@H](C[C@H](CC(=O)[O-])O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1.O[C@@H](C[C@H](CC(=O)[O-])O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1.[Ca+2]
Complexity:
817
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
83
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
6
RotatableBondCount:
22
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Smiles: NC(=N)Nc1nc(N)nc(n1)N
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Smiles:
NC(=N)Nc1nc(N)nc(n1)N
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Smiles: CNC(=O)c1nccc(c1)Oc1ccc2c(c1)sc(n2)N[C@@H]1CCCC[C@H]1O
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Smiles:
CNC(=O)c1nccc(c1)Oc1ccc2c(c1)sc(n2)N[C@@H]1CCCC[C@H]1O
Complexity:
__
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Smiles: C#CCS(=O)(=O)[O-].[Na+]
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MdlNumber:
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Smiles:
C#CCS(=O)(=O)[O-].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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