Allantoin Biotin
[CAS# 4492-73-3]

Identification

• Name: Allantoin Biotin
• Synonyms: 5-[(3Ar,6S,6As)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]Pentanoic Acid; (2,5-Dioxo-4-Imidazolidinyl)Urea; 5-[(3Ar,6S,6As)-2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]Valeric Acid; (2,5-Diketoimidazolidin-4-Yl)Urea; Allantoin Biotin
• Molecular Formula: C₁₄H₂₂N₆O₆S
• Molecular Weight: 402.42
• CAS Registry Number: 4492-73-3
• SMILES: [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCC(=O)O.O=C3NC(=O)NC3NC(=O)N
• InChI: 1S/C10H16N2O3S.C4H6N4O3/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9;5-3(10)6-1-2(9)8-4(11)7-1/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15);1H,(H3,5,6,10)(H2,7,8,9,11)/t6-,7-,9-;/m0./s1
• InChIKey: DCWBLFMYZJBXPI-UFLZEWODSA-N

Properties

• Boiling point: 573.6°C at 760 mmHg (Cal.)
• Flash point: 300.7°C (Cal.)