AB12301
190786-44-8 | Bepotastine besilate
Manufacturer: A2B Chem
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CatalogNumber
AB12301
ChemicalName
Bepotastine besilate
CasNumber
190786-44-8
MolecularFormula
C27H31ClN2O6S
MolecularWeight
547.0628
MdlNumber
MFCD01938491
Smiles
OS(=O)(=O)c1ccccc1.OC(=O)CCCN1CCC(CC1)O[C@H](c1ccccn1)c1ccc(cc1)Cl
Complexity
632
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
37
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
9
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CatalogNumber: AB12301
ChemicalName: Bepotastine besilate
CasNumber: 190786-44-8
MolecularFormula: C27H31ClN2O6S
MolecularWeight: 547.0628
MdlNumber: MFCD01938491
Smiles: OS(=O)(=O)c1ccccc1.OC(=O)CCCN1CCC(CC1)O[C@H](c1ccccn1)c1ccc(cc1)Cl
Complexity: 632
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 9
CatalogNumber:
AB12301
ChemicalName:
Bepotastine besilate
CasNumber:
190786-44-8
MolecularFormula:
C27H31ClN2O6S
MolecularWeight:
547.0628
MdlNumber:
MFCD01938491
Smiles:
OS(=O)(=O)c1ccccc1.OC(=O)CCCN1CCC(CC1)O[C@H](c1ccccn1)c1ccc(cc1)Cl
Complexity:
632
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
9
CatalogNumber: __
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Smiles: COc1cc(C=O)ccc1C#C
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Smiles:
COc1cc(C=O)ccc1C#C
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Smiles: N[C@@H](C(=O)O)CCCNC=NN(C)C
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Smiles:
N[C@@H](C(=O)O)CCCNC=NN(C)C
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Smiles: CN1[C@@H](CCC1=O)C(=O)OC
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CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CN1[C@@H](CCC1=O)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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