AA16588
116666-63-8 | Mibefradil dihydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AA16588
ChemicalName
Mibefradil dihydrochloride
CasNumber
116666-63-8
MolecularFormula
C29H40Cl2FN3O3
MolecularWeight
568.5506
MdlNumber
MFCD00881804
Smiles
COCC(=O)O[C@]1(CCN(CCCc2nc3c([nH]2)cccc3)C)CCc2c([C@@H]1C(C)C)ccc(c2)F.Cl.Cl
Complexity
709
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
2
HeavyAtomCount
38
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
12
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CatalogNumber: AA16588
ChemicalName: Mibefradil dihydrochloride
CasNumber: 116666-63-8
MolecularFormula: C29H40Cl2FN3O3
MolecularWeight: 568.5506
MdlNumber: MFCD00881804
Smiles: COCC(=O)O[C@]1(CCN(CCCc2nc3c([nH]2)cccc3)C)CCc2c([C@@H]1C(C)C)ccc(c2)F.Cl.Cl
Complexity: 709
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 38
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 12
CatalogNumber:
AA16588
ChemicalName:
Mibefradil dihydrochloride
CasNumber:
116666-63-8
MolecularFormula:
C29H40Cl2FN3O3
MolecularWeight:
568.5506
MdlNumber:
MFCD00881804
Smiles:
COCC(=O)O[C@]1(CCN(CCCc2nc3c([nH]2)cccc3)C)CCc2c([C@@H]1C(C)C)ccc(c2)F.Cl.Cl
Complexity:
709
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
38
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
12
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Smiles: O=C[C@H](NC(=O)OC(C)(C)C)CC(C)C
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Smiles:
O=C[C@H](NC(=O)OC(C)(C)C)CC(C)C
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Smiles: COC(=O)[C@@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C
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Smiles:
COC(=O)[C@@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C
Complexity:
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DefinedAtomStereocenterCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: OCCc1ccc(cc1)C(=C)C
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ChemicalName:
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MolecularFormula:
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Smiles:
OCCc1ccc(cc1)C(=C)C
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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