AA22116
115956-13-3 | Dalasetron Mesylate
Manufacturer: A2B Chem
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CatalogNumber
AA22116
ChemicalName
Dalasetron Mesylate
CasNumber
115956-13-3
MolecularFormula
C20H24N2O6S
MolecularWeight
420.4793599999998
MdlNumber
MFCD01718979
Smiles
CS(=O)(=O)O.O=C1C[N@@]2[C@H]3CC1C[C@@H]2C[C@H](C3)OC(=O)c1c[nH]c2c1cccc2
Complexity
627
Covalently-bondedUnitCount
3
DefinedAtomStereocenterCount
2
HeavyAtomCount
30
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
3
RotatableBondCount
3
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CatalogNumber: AA22116
ChemicalName: Dalasetron Mesylate
CasNumber: 115956-13-3
MolecularFormula: C20H24N2O6S
MolecularWeight: 420.4793599999998
MdlNumber: MFCD01718979
Smiles: CS(=O)(=O)O.O=C1C[N@@]2[C@H]3CC1C[C@@H]2C[C@H](C3)OC(=O)c1c[nH]c2c1cccc2
Complexity: 627
Covalently-bondedUnitCount: 3
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AA22116
ChemicalName:
Dalasetron Mesylate
CasNumber:
115956-13-3
MolecularFormula:
C20H24N2O6S
MolecularWeight:
420.4793599999998
MdlNumber:
MFCD01718979
Smiles:
CS(=O)(=O)O.O=C1C[N@@]2[C@H]3CC1C[C@@H]2C[C@H](C3)OC(=O)c1c[nH]c2c1cccc2
Complexity:
627
Covalently-bondedUnitCount:
3
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
3
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CN2[C@H]3C[C@H]1C[C@@H]2C[C@H](C3)OC(=O)c1c[nH]c2c1cccc2
Complexity: 535
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C1CN2[C@H]3C[C@H]1C[C@@H]2C[C@H](C3)OC(=O)c1c[nH]c2c1cccc2
Complexity:
535
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1C[C@H]2C[C@@H]3C[C@@H](C1)N2CC3=O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1C[C@H]2C[C@@H]3C[C@@H](C1)N2CC3=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1cccc2c1CCNC2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Nc1cccc2c1CCNC2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__