AI05789
1029877-94-8 | Trelagliptin succinate
Manufacturer: A2B Chem
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CatalogNumber
AI05789
ChemicalName
Trelagliptin succinate
CasNumber
1029877-94-8
MolecularFormula
C22H26FN5O6
MolecularWeight
475.4701
MdlNumber
MFCD22665720
Smiles
OC(=O)CCC(=O)O.N#Cc1ccc(cc1Cn1c(cc(=O)n(c1=O)C)N1CCC[C@H](C1)N)F
Complexity
750
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
34
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
3
RotatableBondCount
6
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CatalogNumber: AI05789
ChemicalName: Trelagliptin succinate
CasNumber: 1029877-94-8
MolecularFormula: C22H26FN5O6
MolecularWeight: 475.4701
MdlNumber: MFCD22665720
Smiles: OC(=O)CCC(=O)O.N#Cc1ccc(cc1Cn1c(cc(=O)n(c1=O)C)N1CCC[C@H](C1)N)F
Complexity: 750
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 34
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 3
RotatableBondCount: 6
CatalogNumber:
AI05789
ChemicalName:
Trelagliptin succinate
CasNumber:
1029877-94-8
MolecularFormula:
C22H26FN5O6
MolecularWeight:
475.4701
MdlNumber:
MFCD22665720
Smiles:
OC(=O)CCC(=O)O.N#Cc1ccc(cc1Cn1c(cc(=O)n(c1=O)C)N1CCC[C@H](C1)N)F
Complexity:
750
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
34
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
3
RotatableBondCount:
6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C=Cc1ccccc1
Complexity: 167
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C=Cc1ccccc1
Complexity:
167
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OCc1ccccc1)CCC(=O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OCc1ccccc1)CCC(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N(Cc1ccccc1)Cc1ccccc1
Complexity: 137
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N(Cc1ccccc1)Cc1ccccc1
Complexity:
137
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__