AA87734
161735-79-1 | Rasagiline mesylate
Manufacturer: A2B Chem
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CatalogNumber
AA87734
ChemicalName
Rasagiline mesylate
CasNumber
161735-79-1
MolecularFormula
C13H17NO3S
MolecularWeight
267.34398000000004
MdlNumber
MFCD08460604
Smiles
CS(=O)(=O)O.C#CCN[C@@H]1CCc2c1cccc2
Complexity
305
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
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CatalogNumber: AA87734
ChemicalName: Rasagiline mesylate
CasNumber: 161735-79-1
MolecularFormula: C13H17NO3S
MolecularWeight: 267.34398000000004
MdlNumber: MFCD08460604
Smiles: CS(=O)(=O)O.C#CCN[C@@H]1CCc2c1cccc2
Complexity: 305
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AA87734
ChemicalName:
Rasagiline mesylate
CasNumber:
161735-79-1
MolecularFormula:
C13H17NO3S
MolecularWeight:
267.34398000000004
MdlNumber:
MFCD08460604
Smiles:
CS(=O)(=O)O.C#CCN[C@@H]1CCc2c1cccc2
Complexity:
305
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccc(s1)c1ccc(s1)c1ccc(s1)Br
Complexity: 315
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=Cc1ccc(s1)c1ccc(s1)c1ccc(s1)Br
Complexity:
315
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc2nc(N)[nH]c(=O)c2cc1OC
Complexity: 318
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1cc2nc(N)[nH]c(=O)c2cc1OC
Complexity:
318
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1[nH]c(=O)c2c(n1)n(cn2)[C@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)OP(=O)(O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1[nH]c(=O)c2c(n1)n(cn2)[C@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)OP(=O)(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__