AB51386
112887-68-0 | Raltitrexed
Manufacturer: A2B Chem
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CatalogNumber
AB51386
ChemicalName
Raltitrexed
CasNumber
112887-68-0
MolecularFormula
C21H22N4O6S
MolecularWeight
458.4876
MdlNumber
MFCD12828867
Smiles
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(s1)N(CC1C=CC2=NC(=NC(=O)C2=C1)C)C
NscNumber
639186
Complexity
790
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
4
RotatableBondCount
9
Xlogp3
1.4
