AI53035
58207-19-5 | Clindamycin HCl monohydrate
Manufacturer: A2B Chem
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CatalogNumber
AI53035
ChemicalName
Clindamycin HCl monohydrate
CasNumber
58207-19-5
MolecularFormula
C18H36Cl2N2O6S
MolecularWeight
479.45923999999985
MdlNumber
MFCD07793327
Smiles
CCC[C@H]1CN([C@@H](C1)C(=O)N[C@@H]([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)O)[C@@H](Cl)C)C.Cl.O
Complexity
502
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
4
HeavyAtomCount
28
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
5
RotatableBondCount
7
UndefinedAtomStereocenterCount
5
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CatalogNumber: AI53035
ChemicalName: Clindamycin HCl monohydrate
CasNumber: 58207-19-5
MolecularFormula: C18H36Cl2N2O6S
MolecularWeight: 479.45923999999985
MdlNumber: MFCD07793327
Smiles: CCC[C@H]1CN([C@@H](C1)C(=O)N[C@@H]([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)O)[C@@H](Cl)C)C.Cl.O
Complexity: 502
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 5
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 5
CatalogNumber:
AI53035
ChemicalName:
Clindamycin HCl monohydrate
CasNumber:
58207-19-5
MolecularFormula:
C18H36Cl2N2O6S
MolecularWeight:
479.45923999999985
MdlNumber:
MFCD07793327
Smiles:
CCC[C@H]1CN([C@@H](C1)C(=O)N[C@@H]([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)O)[C@@H](Cl)C)C.Cl.O
Complexity:
502
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
5
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
5
CatalogNumber: __
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Smiles: CN(C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)O)C
Complexity: __
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Smiles:
CN(C(=O)c1ccc(cc1)c1ccc(cc1)C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
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Smiles: CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
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__
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__
MolecularFormula:
__
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__
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Smiles:
CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: Nc1ncc2c(n1)nc1c(c2)cccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ncc2c(n1)nc1c(c2)cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__