AA81241
15876-67-2 | Distigmine bromide
Manufacturer: A2B Chem
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CatalogNumber
AA81241
ChemicalName
Distigmine bromide
CasNumber
15876-67-2
MolecularFormula
C22H32Br2N4O4
MolecularWeight
576.3219
MdlNumber
MFCD00867188
Smiles
C[n+]1cccc(c1)OC(=O)N(CCCCCCN(C(=O)Oc1ccc[n+](c1)C)C)C.[Br-].[Br-]
Complexity
487
Covalently-bondedUnitCount
3
HeavyAtomCount
32
HydrogenBondAcceptorCount
6
RotatableBondCount
11
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CatalogNumber: AA81241
ChemicalName: Distigmine bromide
CasNumber: 15876-67-2
MolecularFormula: C22H32Br2N4O4
MolecularWeight: 576.3219
MdlNumber: MFCD00867188
Smiles: C[n+]1cccc(c1)OC(=O)N(CCCCCCN(C(=O)Oc1ccc[n+](c1)C)C)C.[Br-].[Br-]
Complexity: 487
Covalently-bondedUnitCount: 3
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 6
RotatableBondCount: 11
CatalogNumber:
AA81241
ChemicalName:
Distigmine bromide
CasNumber:
15876-67-2
MolecularFormula:
C22H32Br2N4O4
MolecularWeight:
576.3219
MdlNumber:
MFCD00867188
Smiles:
C[n+]1cccc(c1)OC(=O)N(CCCCCCN(C(=O)Oc1ccc[n+](c1)C)C)C.[Br-].[Br-]
Complexity:
487
Covalently-bondedUnitCount:
3
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
6
RotatableBondCount:
11
CatalogNumber: __
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Smiles: Clc1c(Cl)c(Cl)c(c(c1Cl)C(=O)[O-])c1c2-c(oc3c1cc(Br)c(c3Br)[O-])c(c(=O)c(c2)Br)Br.Clc1c(Cl)c(Cl)c(c(c1Cl)C(=O)[O-])c1c2-c(oc3c1cc(Br)c(c3Br)[O-])c(c(=O)c(c2)Br)Br.Clc1c(Cl)c(Cl)c(c(c1Cl)C(=O)[O-])c1c2-c(oc3c1cc(Br)c(c3Br)[O-])c(c(=O)c(c2)Br)Br.[Al+3].[Al+3]
Complexity: __
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Smiles:
Clc1c(Cl)c(Cl)c(c(c1Cl)C(=O)[O-])c1c2-c(oc3c1cc(Br)c(c3Br)[O-])c(c(=O)c(c2)Br)Br.Clc1c(Cl)c(Cl)c(c(c1Cl)C(=O)[O-])c1c2-c(oc3c1cc(Br)c(c3Br)[O-])c(c(=O)c(c2)Br)Br.Clc1c(Cl)c(Cl)c(c(c1Cl)C(=O)[O-])c1c2-c(oc3c1cc(Br)c(c3Br)[O-])c(c(=O)c(c2)Br)Br.[Al+3].[Al+3]
Complexity:
__
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Smiles: C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-].C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-].C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-].[Al].[Al]
Complexity: __
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Smiles:
C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-].C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-].C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-].[Al].[Al]
Complexity:
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Smiles: [O-][N+](=O)c1ccc(cc1)C=C1C(=O)c2c(C1=O)cccc2
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Smiles:
[O-][N+](=O)c1ccc(cc1)C=C1C(=O)c2c(C1=O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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