AI51928
53251-94-8 | Pinaverium bromide
Manufacturer: A2B Chem
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CatalogNumber
AI51928
ChemicalName
Pinaverium bromide
CasNumber
53251-94-8
MolecularFormula
C26H41Br2NO4
MolecularWeight
591.416
MdlNumber
MFCD01713435
Smiles
COc1cc(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)c(cc1OC)Br.[Br-]
Complexity
596
Covalently-bondedUnitCount
2
HeavyAtomCount
33
HydrogenBondAcceptorCount
5
RotatableBondCount
10
UndefinedAtomStereocenterCount
3
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CatalogNumber: AI51928
ChemicalName: Pinaverium bromide
CasNumber: 53251-94-8
MolecularFormula: C26H41Br2NO4
MolecularWeight: 591.416
MdlNumber: MFCD01713435
Smiles: COc1cc(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)c(cc1OC)Br.[Br-]
Complexity: 596
Covalently-bondedUnitCount: 2
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 5
RotatableBondCount: 10
UndefinedAtomStereocenterCount: 3
CatalogNumber:
AI51928
ChemicalName:
Pinaverium bromide
CasNumber:
53251-94-8
MolecularFormula:
C26H41Br2NO4
MolecularWeight:
591.416
MdlNumber:
MFCD01713435
Smiles:
COc1cc(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)c(cc1OC)Br.[Br-]
Complexity:
596
Covalently-bondedUnitCount:
2
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
5
RotatableBondCount:
10
UndefinedAtomStereocenterCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: BrCc1onc(c1Br)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
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MolecularFormula:
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Smiles:
BrCc1onc(c1Br)C
Complexity:
__
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: [O-][N+](=O)c1cocc1
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MolecularWeight:
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Smiles:
[O-][N+](=O)c1cocc1
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
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Smiles: ClCC(=O)N(CC(C)C)CC(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCC(=O)N(CC(C)C)CC(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__