10,10-Dimethyl-10-Deazaaminopterin
[CAS# 80576-88-1]

Identification

• Name: 10,10-Dimethyl-10-Deazaaminopterin
• Synonyms: (2S)-2-[[4-[2-(2,4-Diaminopteridin-6-Yl)-1,1-Dimethyl-Ethyl]Benzoyl]Amino]Pentanedioic Acid; (2S)-2-[[[4-[2-(2,4-Diamino-6-Pteridinyl)-1,1-Dimethylethyl]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[2-(2,4-Diaminopteridin-6-Yl)-1,1-Dimethyl-Ethyl]Benzoyl]Amino]Glutaric Acid
• Molecular Formula: C₂₂H₂₅N₇O₅
• Molecular Weight: 467.48
• CAS Registry Number: 80576-88-1
• SMILES: [C@@H](NC(=O)C3=CC=C(C(CC2=NC1=C(N=C(N=C1N=C2)N)N)(C)C)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C22H25N7O5/c1-22(2,9-13-10-25-18-16(26-13)17(23)28-21(24)29-18)12-5-3-11(4-6-12)19(32)27-14(20(33)34)7-8-15(30)31/h3-6,10,14H,7-9H2,1-2H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t14-/m0/s1
• InChIKey: UNDZSJQMMOCFIZ-AWEZNQCLSA-N

Properties

• Density: 1.441g/cm³ (Cal.)