AD69885
104757-53-1 | Barnidipine hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AD69885
ChemicalName
Barnidipine hydrochloride
CasNumber
104757-53-1
MolecularFormula
C27H30ClN3O6
MolecularWeight
527.9966
MdlNumber
MFCD18409830
Smiles
COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)O[C@H]1CCN(C1)Cc1ccccc1)C.Cl
Complexity
917
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
37
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
8
UndefinedAtomStereocenterCount
1
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CatalogNumber: AD69885
ChemicalName: Barnidipine hydrochloride
CasNumber: 104757-53-1
MolecularFormula: C27H30ClN3O6
MolecularWeight: 527.9966
MdlNumber: MFCD18409830
Smiles: COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)O[C@H]1CCN(C1)Cc1ccccc1)C.Cl
Complexity: 917
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AD69885
ChemicalName:
Barnidipine hydrochloride
CasNumber:
104757-53-1
MolecularFormula:
C27H30ClN3O6
MolecularWeight:
527.9966
MdlNumber:
MFCD18409830
Smiles:
COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)O[C@H]1CCN(C1)Cc1ccccc1)C.Cl
Complexity:
917
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
1
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Smiles: CN(S(=O)(=O)c1cc(N)ccc1Cl)C
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Smiles:
CN(S(=O)(=O)c1cc(N)ccc1Cl)C
Complexity:
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HeavyAtomCount:
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Smiles: COCOc1ccc(cc1Br)C
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Smiles:
COCOc1ccc(cc1Br)C
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__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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UndefinedAtomStereocenterCount:
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Smiles: O=C1c2ccccc2CC1(C)c1ccccc1
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CatalogNumber:
__
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1c2ccccc2CC1(C)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__