AA63874
145821-59-6 | Tiagabine hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AA63874
ChemicalName
Tiagabine hydrochloride
CasNumber
145821-59-6
MolecularFormula
C20H26ClNO2S2
MolecularWeight
412.0089
MdlNumber
MFCD07369025
Smiles
OC(=O)[C@@H]1CCCN(C1)CCC=C(c1sccc1C)c1sccc1C.Cl
Complexity
474
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
6
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CatalogNumber: AA63874
ChemicalName: Tiagabine hydrochloride
CasNumber: 145821-59-6
MolecularFormula: C20H26ClNO2S2
MolecularWeight: 412.0089
MdlNumber: MFCD07369025
Smiles: OC(=O)[C@@H]1CCCN(C1)CCC=C(c1sccc1C)c1sccc1C.Cl
Complexity: 474
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 6
CatalogNumber:
AA63874
ChemicalName:
Tiagabine hydrochloride
CasNumber:
145821-59-6
MolecularFormula:
C20H26ClNO2S2
MolecularWeight:
412.0089
MdlNumber:
MFCD07369025
Smiles:
OC(=O)[C@@H]1CCCN(C1)CCC=C(c1sccc1C)c1sccc1C.Cl
Complexity:
474
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
6
CatalogNumber: __
ChemicalName: __
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Smiles: OC(=O)c1[nH]ccc1Br
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
OC(=O)c1[nH]ccc1Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Smiles: OC(=O)CN(C1CCCCC1N(CC(=O)O)CC(=O)O)CC(=O)O.O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)CN(C1CCCCC1N(CC(=O)O)CC(=O)O)CC(=O)O.O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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MolecularFormula: __
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Smiles: N#Cc1ccc(cc1O)C(C)(C)C
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1ccc(cc1O)C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__