Products 73610-81-8

CAS 73610-81-8 appears in our catalog under these names: Methotrexate Tetraglutamate, Methotrexate Impurity 27, Methotrexate Tetraglutamate Trifluoroacetate. Offered by: Chemat Brand, Hubei YoungXin, Biosynth. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg.

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

(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid (CAS 73610-81-8) is a chemical compound with the molecular formula C35H43N11O14 and a molecular weight of 841.8 g/mol. IUPAC name: (2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid. InChIKey: UORBZCNWEGKEOP-CMOCDZPBSA-N.

Identity
Molecular formulaC35H43N11O14
Molecular weight841.8 g/mol
IUPAC name(2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid
InChIKeyUORBZCNWEGKEOP-CMOCDZPBSA-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)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Computed by PubChem (NCBI)