AB72189
21462-39-5 | (7S)-7-Chloro-7-deoxylincomycin hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AB72189
ChemicalName
(7S)-7-Chloro-7-deoxylincomycin hydrochloride
CasNumber
21462-39-5
MolecularFormula
C18H34Cl2N2O5S
MolecularWeight
461.444
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
Complexity
502
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
9
HeavyAtomCount
28
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
5
RotatableBondCount
7
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CatalogNumber: AB72189
ChemicalName: (7S)-7-Chloro-7-deoxylincomycin hydrochloride
CasNumber: 21462-39-5
MolecularFormula: C18H34Cl2N2O5S
MolecularWeight: 461.444
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
Complexity: 502
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 9
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 5
RotatableBondCount: 7
CatalogNumber:
AB72189
ChemicalName:
(7S)-7-Chloro-7-deoxylincomycin hydrochloride
CasNumber:
21462-39-5
MolecularFormula:
C18H34Cl2N2O5S
MolecularWeight:
461.444
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
Complexity:
502
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
9
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
5
RotatableBondCount:
7
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Smiles: CCCC1CN(C(C1)C(=O)NC(C1OC(SC)C(C(C1O)O)OP(=O)(O)O)C(Cl)C)C
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Smiles:
CCCC1CN(C(C1)C(=O)NC(C1OC(SC)C(C(C1O)O)OP(=O)(O)O)C(Cl)C)C
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Smiles: OS(=O)(=O)O.COC(=O)C(c1ccccc1Cl)N1CCc2c(C1)ccs2
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Smiles:
OS(=O)(=O)O.COC(=O)C(c1ccccc1Cl)N1CCc2c(C1)ccs2
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__
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__
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HydrogenBondDonorCount:
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Smiles: [O-][N+](=O)/N=C(NC)/NCc1cnc(s1)Cl
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
[O-][N+](=O)/N=C(NC)/NCc1cnc(s1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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