AA65838
147526-32-7 | Pitavastatin Calcium
Manufacturer: A2B Chem
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CatalogNumber
AA65838
ChemicalName
Pitavastatin Calcium
CasNumber
147526-32-7
MolecularFormula
C50H46CaF2N2O8
MolecularWeight
880.9836464000003
MdlNumber
MFCD01937979
Smiles
O[C@H](C[C@@H](/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O)CC(=O)[O-].O[C@H](C[C@@H](/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O)CC(=O)[O-].[Ca+2]
Complexity
626
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
4
DefinedBondStereocenterCount
2
HeavyAtomCount
63
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
4
RotatableBondCount
14
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CatalogNumber: AA65838
ChemicalName: Pitavastatin Calcium
CasNumber: 147526-32-7
MolecularFormula: C50H46CaF2N2O8
MolecularWeight: 880.9836464000003
MdlNumber: MFCD01937979
Smiles: O[C@H](C[C@@H](/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O)CC(=O)[O-].O[C@H](C[C@@H](/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O)CC(=O)[O-].[Ca+2]
Complexity: 626
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 4
DefinedBondStereocenterCount: 2
HeavyAtomCount: 63
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 4
RotatableBondCount: 14
CatalogNumber:
AA65838
ChemicalName:
Pitavastatin Calcium
CasNumber:
147526-32-7
MolecularFormula:
C50H46CaF2N2O8
MolecularWeight:
880.9836464000003
MdlNumber:
MFCD01937979
Smiles:
O[C@H](C[C@@H](/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O)CC(=O)[O-].O[C@H](C[C@@H](/C=C/c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1)O)CC(=O)[O-].[Ca+2]
Complexity:
626
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
4
DefinedBondStereocenterCount:
2
HeavyAtomCount:
63
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
4
RotatableBondCount:
14
CatalogNumber: __
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Smiles: Oc1cc2CC(OC(=O)c2c(c1)O)c1ccc(c(c1)O)O
Complexity: __
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Smiles:
Oc1cc2CC(OC(=O)c2c(c1)O)c1ccc(c(c1)O)O
Complexity:
__
Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: BrC[C@H](c1ccccc1)C
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Smiles:
BrC[C@H](c1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
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Smiles: COc1ccc(cc1C(C(Cl)(Cl)Cl)c1cc(Cl)ccc1OC)Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
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CatalogNumber:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ccc(cc1C(C(Cl)(Cl)Cl)c1cc(Cl)ccc1OC)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__