AA95441
180200-66-2 | Gatifloxacin sesquihydrate
Manufacturer: A2B Chem
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CatalogNumber
AA95441
ChemicalName
Gatifloxacin sesquihydrate
CasNumber
180200-66-2
MolecularFormula
C38H50F2N6O11
MolecularWeight
804.834
MdlNumber
MFCD22373645
Smiles
COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1.COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1.O.O.O
Complexity
653
Covalently-bondedUnitCount
5
HeavyAtomCount
57
HydrogenBondAcceptorCount
19
HydrogenBondDonorCount
7
RotatableBondCount
8
UndefinedAtomStereocenterCount
2
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CatalogNumber: AA95441
ChemicalName: Gatifloxacin sesquihydrate
CasNumber: 180200-66-2
MolecularFormula: C38H50F2N6O11
MolecularWeight: 804.834
MdlNumber: MFCD22373645
Smiles: COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1.COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1.O.O.O
Complexity: 653
Covalently-bondedUnitCount: 5
HeavyAtomCount: 57
HydrogenBondAcceptorCount: 19
HydrogenBondDonorCount: 7
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 2
CatalogNumber:
AA95441
ChemicalName:
Gatifloxacin sesquihydrate
CasNumber:
180200-66-2
MolecularFormula:
C38H50F2N6O11
MolecularWeight:
804.834
MdlNumber:
MFCD22373645
Smiles:
COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1.COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1.O.O.O
Complexity:
653
Covalently-bondedUnitCount:
5
HeavyAtomCount:
57
HydrogenBondAcceptorCount:
19
HydrogenBondDonorCount:
7
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
2
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Smiles: O=C=NCCCCCCCN=C=O
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O=C=NCCCCCCCN=C=O
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Smiles: COC(=O)C(=C)C(O)C
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COC(=O)C(=C)C(O)C
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: COC(=O)C(=C)C(c1ccccc1)O
Complexity: __
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HydrogenBondAcceptorCount: __
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CasNumber:
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MolecularFormula:
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Smiles:
COC(=O)C(=C)C(c1ccccc1)O
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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