AD59295
217087-09-7 | Esomeprazole magnesium trihydrate
Manufacturer: A2B Chem
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CatalogNumber
AD59295
ChemicalName
Esomeprazole magnesium trihydrate
CasNumber
217087-09-7
MolecularFormula
C34H42MgN6O9S2
MolecularWeight
767.1670800000004
MdlNumber
MFCD11226784
Smiles
COc1ccc2c(c1)[N-]C1=[N]2[Mg+2]2([O]=S1Cc1ncc(c(c1C)OC)C)[O]=S(C1=[N]2c2ccc(cc2[N-]1)OC)Cc1ncc(c(c1C)OC)C.O.O.O
Complexity
453
Covalently-bondedUnitCount
6
HeavyAtomCount
52
HydrogenBondAcceptorCount
17
HydrogenBondDonorCount
3
RotatableBondCount
10
UndefinedAtomStereocenterCount
2
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CatalogNumber: AD59295
ChemicalName: Esomeprazole magnesium trihydrate
CasNumber: 217087-09-7
MolecularFormula: C34H42MgN6O9S2
MolecularWeight: 767.1670800000004
MdlNumber: MFCD11226784
Smiles: COc1ccc2c(c1)[N-]C1=[N]2[Mg+2]2([O]=S1Cc1ncc(c(c1C)OC)C)[O]=S(C1=[N]2c2ccc(cc2[N-]1)OC)Cc1ncc(c(c1C)OC)C.O.O.O
Complexity: 453
Covalently-bondedUnitCount: 6
HeavyAtomCount: 52
HydrogenBondAcceptorCount: 17
HydrogenBondDonorCount: 3
RotatableBondCount: 10
UndefinedAtomStereocenterCount: 2
CatalogNumber:
AD59295
ChemicalName:
Esomeprazole magnesium trihydrate
CasNumber:
217087-09-7
MolecularFormula:
C34H42MgN6O9S2
MolecularWeight:
767.1670800000004
MdlNumber:
MFCD11226784
Smiles:
COc1ccc2c(c1)[N-]C1=[N]2[Mg+2]2([O]=S1Cc1ncc(c(c1C)OC)C)[O]=S(C1=[N]2c2ccc(cc2[N-]1)OC)Cc1ncc(c(c1C)OC)C.O.O.O
Complexity:
453
Covalently-bondedUnitCount:
6
HeavyAtomCount:
52
HydrogenBondAcceptorCount:
17
HydrogenBondDonorCount:
3
RotatableBondCount:
10
UndefinedAtomStereocenterCount:
2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: O=C(N(c1ncc(cn1)Br)C(=O)OC(C)(C)C)OC(C)(C)C
Complexity: 381
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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Smiles:
O=C(N(c1ncc(cn1)Br)C(=O)OC(C)(C)C)OC(C)(C)C
Complexity:
381
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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MolecularFormula: __
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Smiles: FC(Oc1ccc(cc1)C(=O)c1ccccc1)F
Complexity: __
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Smiles:
FC(Oc1ccc(cc1)C(=O)c1ccccc1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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Smiles: Oc1cncc(c1)B(O)O
Complexity: __
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Smiles:
Oc1cncc(c1)B(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__