AA48551
136310-93-5 | (1R,2R,4S,5S,7R)-7-{[2-hydroxy-2,2-bis(thiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium bromide
Manufacturer: A2B Chem
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CatalogNumber
AA48551
ChemicalName
(1R,2R,4S,5S,7R)-7-{[2-hydroxy-2,2-bis(thiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium bromide
CasNumber
136310-93-5
MolecularFormula
C19H22BrNO4S2
MolecularWeight
472.4163
MdlNumber
MFCD08703410
Smiles
O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3.[Br-]
Complexity
564
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
4
HeavyAtomCount
27
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
5
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CatalogNumber: AA48551
ChemicalName: (1R,2R,4S,5S,7R)-7-{[2-hydroxy-2,2-bis(thiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium bromide
CasNumber: 136310-93-5
MolecularFormula: C19H22BrNO4S2
MolecularWeight: 472.4163
MdlNumber: MFCD08703410
Smiles: O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3.[Br-]
Complexity: 564
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 4
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 5
CatalogNumber:
AA48551
ChemicalName:
(1R,2R,4S,5S,7R)-7-{[2-hydroxy-2,2-bis(thiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium bromide
CasNumber:
136310-93-5
MolecularFormula:
C19H22BrNO4S2
MolecularWeight:
472.4163
MdlNumber:
MFCD08703410
Smiles:
O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3.[Br-]
Complexity:
564
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
4
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
5
CatalogNumber: __
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Smiles: CN1[C@@H]2C[C@H](C[C@H]1[C@H]1[C@@H]2O1)OC(=O)C(c1cccs1)(c1cccs1)O
Complexity: __
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Smiles:
CN1[C@@H]2C[C@H](C[C@H]1[C@H]1[C@@H]2O1)OC(=O)C(c1cccs1)(c1cccs1)O
Complexity:
__
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Smiles: CCOC(=O)C(=NNc1ccc(cc1)[N+](=O)[O-])C(=O)OCC
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Smiles:
CCOC(=O)C(=NNc1ccc(cc1)[N+](=O)[O-])C(=O)OCC
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__
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Smiles: CC1(C)OB(OC1(C)C)c1cnc(cc1C)F
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CasNumber:
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MdlNumber:
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Smiles:
CC1(C)OB(OC1(C)C)c1cnc(cc1C)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__