AB51793
114-07-8 | Erythromycin
Manufacturer: A2B Chem
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CatalogNumber
AB51793
ChemicalName
Erythromycin
CasNumber
114-07-8
MolecularFormula
C37H67NO13
MolecularWeight
733.9267800000002
MdlNumber
MFCD00149235
Smiles
CC[C@H]1OC(=O)[C@H](C)[C@@H](C[C@H]2C[C@@](C)(OC)[C@H]([C@@H](O2)O)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O
NscNumber
756759
Complexity
1180
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
18
HeavyAtomCount
51
HydrogenBondAcceptorCount
14
HydrogenBondDonorCount
5
RotatableBondCount
7
Xlogp3
2.7
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CatalogNumber: AB51793
ChemicalName: Erythromycin
CasNumber: 114-07-8
MolecularFormula: C37H67NO13
MolecularWeight: 733.9267800000002
MdlNumber: MFCD00149235
Smiles: CC[C@H]1OC(=O)[C@H](C)[C@@H](C[C@H]2C[C@@](C)(OC)[C@H]([C@@H](O2)O)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O
NscNumber: 756759
Complexity: 1180
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 18
HeavyAtomCount: 51
HydrogenBondAcceptorCount: 14
HydrogenBondDonorCount: 5
RotatableBondCount: 7
Xlogp3: 2.7
CatalogNumber:
AB51793
ChemicalName:
Erythromycin
CasNumber:
114-07-8
MolecularFormula:
C37H67NO13
MolecularWeight:
733.9267800000002
MdlNumber:
MFCD00149235
Smiles:
CC[C@H]1OC(=O)[C@H](C)[C@@H](C[C@H]2C[C@@](C)(OC)[C@H]([C@@H](O2)O)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O
NscNumber:
756759
Complexity:
1180
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
18
HeavyAtomCount:
51
HydrogenBondAcceptorCount:
14
HydrogenBondDonorCount:
5
RotatableBondCount:
7
Xlogp3:
2.7
CatalogNumber: AB51794
ChemicalName: 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CasNumber: 93106-60-6
MolecularFormula: C19H22FN3O3
MolecularWeight: 359.3947
MdlNumber: MFCD00792463
Smiles: CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O
NscNumber: 758616
Complexity: 613
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: -0.2
CatalogNumber:
AB51794
ChemicalName:
1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CasNumber:
93106-60-6
MolecularFormula:
C19H22FN3O3
MolecularWeight:
359.3947
MdlNumber:
MFCD00792463
Smiles:
CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O
NscNumber:
758616
Complexity:
613
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(c1ccc(cc1)O)N)NC1C(=O)N2C1SC(C2C(=O)O)(C)C.O.O.O
NscNumber: __
Complexity: 590
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(c1ccc(cc1)O)N)NC1C(=O)N2C1SC(C2C(=O)O)(C)C.O.O.O
NscNumber:
__
Complexity:
590
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(c1ccn[nH]1)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1ccn[nH]1)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__