Products 41600-14-0

CAS 41600-14-0 appears in our catalog under these names: Methotrexate Triglutamate, Methotrexate Triglutamate/ 100%, Methotrexate triglutamate, 99.94%, Methotrexate Triglutamate Trifluoroacetate. Offered by: Chemat Brand, TargetMol, Chemat, MedChemExpress. Available pack sizes: on request, 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 5 mg.

Structural formula: {0} (CAS {1})

(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid (CAS 41600-14-0) is a chemical compound with the molecular formula C30H36N10O11 and a molecular weight of 712.7 g/mol. IUPAC name: (2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid. InChIKey: SBFRVUOTZGQNGW-FHWLQOOXSA-N.

Identity
Molecular formulaC30H36N10O11
Molecular weight712.7 g/mol
IUPAC name(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid
InChIKeySBFRVUOTZGQNGW-FHWLQOOXSA-N
SMILESCN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O

Computed by PubChem (NCBI)