5,10-Dideaza-5,6,7,8-Tetrahydroaminopterin
[CAS# 95674-54-7]

Identification

• Name: 5,10-Dideaza-5,6,7,8-Tetrahydroaminopterin
• Synonyms: (2S)-2-[[[4-[2-(2,4-Diamino-5,6,7,8-Tetrahydropyrido[6,5-D]Pyrimidin-6-Yl)Ethyl]Phenyl]-Oxomethyl]Amino]Pentanedioic Acid; (2S)-2-[[4-[2-(2,4-Diamino-5,6,7,8-Tetrahydropyrido[6,5-D]Pyrimidin-6-Yl)Ethyl]Benzoyl]Amino]Glutaric Acid; (2S)-2-[[4-[2-(2,4-Diamino
• Molecular Formula: C₂₁H₂₆N₆O₅
• Molecular Weight: 442.47
• CAS Registry Number: 95674-54-7
• SMILES: [C@@H](NC(=O)C3=CC=C(CCC2CC1=C(N=C(N=C1NC2)N)N)C=C3)(C(=O)O)CCC(=O)O
• InChI: 1S/C21H26N6O5/c22-17-14-9-12(10-24-18(14)27-21(23)26-17)2-1-11-3-5-13(6-4-11)19(30)25-15(20(31)32)7-8-16(28)29/h3-6,12,15H,1-2,7-10H2,(H,25,30)(H,28,29)(H,31,32)(H5,22,23,24,26,27)/t12?,15-/m0/s1
• InChIKey: JVKOZIXIYHORFY-CVRLYYSRSA-N

Properties

• Density: 1.393g/cm³ (Cal.)