Antineoplaston AS 2-1
[CAS# 104624-98-8]

Identification

• Name: Antineoplaston AS 2-1
• Synonyms: Disodium; (2S)-5-Amino-5-Oxo-2-[(1-Oxo-2-Phenylethyl)Amino]Pentanoate; 2-Phenylacetate; Disodium; (2S)-5-Amino-5-Keto-2-[(2-Phenylacetyl)Amino]Valerate; 2-Phenylacetate
• Molecular Formula: C₂₁H₂₂N₂Na₂O₆
• Molecular Weight: 444.39
• CAS Registry Number: 104624-98-8
• SMILES: [C@@H](NC(=O)CC1=CC=CC=C1)(C([O-])=O)CCC(=O)N.[Na+].[Na+].C(C2=CC=CC=C2)C([O-])=O
• InChI: 1S/C13H16N2O4.C8H8O2.2Na/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9;9-8(10)6-7-4-2-1-3-5-7;;/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19);1-5H,6H2,(H,9,10);;/q;;2*+1/p-2/t10-;;;/m0.../s1
• InChIKey: PFWDHRASWSUTIA-KAFJHEIMSA-L

Properties

• Boiling point: 655.5°C at 760 mmHg (Cal.)
• Flash point: 350.2°C (Cal.)