AB79265
94055-76-2 | Suplatast tosilate
Manufacturer: A2B Chem
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CatalogNumber
AB79265
ChemicalName
Suplatast tosilate
CasNumber
94055-76-2
MolecularFormula
C23H33NO7S2
MolecularWeight
499.6406
MdlNumber
MFCD00867604
Smiles
Cc1ccc(cc1)S(=O)(=O)[O-].CCOCC(COc1ccc(cc1)NC(=O)CC[S+](C)C)O
Complexity
500
Covalently-bondedUnitCount
2
HeavyAtomCount
33
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
10
UndefinedAtomStereocenterCount
1
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CatalogNumber: AB79265
ChemicalName: Suplatast tosilate
CasNumber: 94055-76-2
MolecularFormula: C23H33NO7S2
MolecularWeight: 499.6406
MdlNumber: MFCD00867604
Smiles: Cc1ccc(cc1)S(=O)(=O)[O-].CCOCC(COc1ccc(cc1)NC(=O)CC[S+](C)C)O
Complexity: 500
Covalently-bondedUnitCount: 2
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 10
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AB79265
ChemicalName:
Suplatast tosilate
CasNumber:
94055-76-2
MolecularFormula:
C23H33NO7S2
MolecularWeight:
499.6406
MdlNumber:
MFCD00867604
Smiles:
Cc1ccc(cc1)S(=O)(=O)[O-].CCOCC(COc1ccc(cc1)NC(=O)CC[S+](C)C)O
Complexity:
500
Covalently-bondedUnitCount:
2
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
10
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
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Smiles: O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
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Smiles:
O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
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Smiles: NCCCCNCCCCN
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Smiles:
NCCCCNCCCCN
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Smiles: ON=Cc1cccc(c1)[N+](=O)[O-]
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Smiles:
ON=Cc1cccc(c1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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