AE81469
170787-99-2 | Efaproxiral sodium
Manufacturer: A2B Chem
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CatalogNumber
AE81469
ChemicalName
Efaproxiral sodium
CasNumber
170787-99-2
MolecularFormula
C20H22NNaO4
MolecularWeight
363.38275000000004
MdlNumber
MFCD02093864
Smiles
O=C(Nc1cc(C)cc(c1)C)Cc1ccc(cc1)OC(C(=O)[O-])(C)C.[Na+]
Complexity
464
Covalently-bondedUnitCount
2
HeavyAtomCount
26
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
6
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CatalogNumber: AE81469
ChemicalName: Efaproxiral sodium
CasNumber: 170787-99-2
MolecularFormula: C20H22NNaO4
MolecularWeight: 363.38275000000004
MdlNumber: MFCD02093864
Smiles: O=C(Nc1cc(C)cc(c1)C)Cc1ccc(cc1)OC(C(=O)[O-])(C)C.[Na+]
Complexity: 464
Covalently-bondedUnitCount: 2
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
CatalogNumber:
AE81469
ChemicalName:
Efaproxiral sodium
CasNumber:
170787-99-2
MolecularFormula:
C20H22NNaO4
MolecularWeight:
363.38275000000004
MdlNumber:
MFCD02093864
Smiles:
O=C(Nc1cc(C)cc(c1)C)Cc1ccc(cc1)OC(C(=O)[O-])(C)C.[Na+]
Complexity:
464
Covalently-bondedUnitCount:
2
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: CS(=O)(=O)O.CN(C/C=C/C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(c2)C)nc2c1c(Cl)ccc2)C
Complexity: __
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Smiles:
CS(=O)(=O)O.CN(C/C=C/C(=O)N1CCCC[C@H](C1)n1c(NC(=O)c2ccnc(c2)C)nc2c1c(Cl)ccc2)C
Complexity:
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Smiles: OC(=O)C(F)(F)F.COCCN([C@@H]1CC[C@H](CC1)N(c1cc(C#CCN2CCOCC2)cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)CC)C
Complexity: __
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Smiles:
OC(=O)C(F)(F)F.COCCN([C@@H]1CC[C@H](CC1)N(c1cc(C#CCN2CCOCC2)cc(c1C)C(=O)NCc1c(C)cc([nH]c1=O)C)CC)C
Complexity:
__
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__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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CatalogNumber: __
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Smiles: CNCCN(Cc1c[nH]nc1c1ccc(cc1)O[C@@H]1C[C@H](C1)OCCC1CCOCC1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CNCCN(Cc1c[nH]nc1c1ccc(cc1)O[C@@H]1C[C@H](C1)OCCC1CCOCC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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