AA50407
137281-23-3 | Pemetrexed
Manufacturer: A2B Chem
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CatalogNumber
AA50407
ChemicalName
Pemetrexed
CasNumber
137281-23-3
MolecularFormula
C20H21N5O6
MolecularWeight
427.41063999999994
MdlNumber
MFCD00902635
Smiles
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)[nH]c(n2)N
NscNumber
698037
Complexity
748
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
31
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
6
RotatableBondCount
9
Xlogp3
0.2
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CatalogNumber: AA50407
ChemicalName: Pemetrexed
CasNumber: 137281-23-3
MolecularFormula: C20H21N5O6
MolecularWeight: 427.41063999999994
MdlNumber: MFCD00902635
Smiles: OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)[nH]c(n2)N
NscNumber: 698037
Complexity: 748
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 6
RotatableBondCount: 9
Xlogp3: 0.2
CatalogNumber:
AA50407
ChemicalName:
Pemetrexed
CasNumber:
137281-23-3
MolecularFormula:
C20H21N5O6
MolecularWeight:
427.41063999999994
MdlNumber:
MFCD00902635
Smiles:
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)[nH]c(n2)N
NscNumber:
698037
Complexity:
748
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
6
RotatableBondCount:
9
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(C)(C)C)Nc1[nH]c(=O)c2c(n1)[nH]cc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(C)(C)C)Nc1[nH]c(=O)c2c(n1)[nH]cc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)C1C=CC=NC1=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)C1C=CC=NC1=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@@H]1COC[C@H]1N.Cl.Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H]1COC[C@H]1N.Cl.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__