(1-Pyrenebutyryl)Carnitine
[CAS# 81923-90-2]

Identification

• Name: (1-Pyrenebutyryl)Carnitine
• Synonyms: 3-(4-Pyren-1-Ylbutanoyloxy)-4-Trimethylammonio-Butanoate; 3-[1-Oxo-4-(1-Pyrenyl)Butoxy]-4-Trimethylammoniobutanoate; 3-(4-Pyren-1-Ylbutanoyloxy)-4-Trimethylammonio-Butyrate
• Molecular Formula: C₂₇H₂₉NO₄
• Molecular Weight: 431.53
• CAS Registry Number: 81923-90-2
• SMILES: C3=CC1=CC=CC2=CC=C4C(=C12)C3=C(C=C4)CCCC(OC(C[N+](C)(C)C)CC([O-])=O)=O
• InChI: 1S/C27H29NO4/c1-28(2,3)17-22(16-24(29)30)32-25(31)9-5-6-18-10-11-21-13-12-19-7-4-8-20-14-15-23(18)27(21)26(19)20/h4,7-8,10-15,22H,5-6,9,16-17H2,1-3H3
• InChIKey: XLZUNRCLJXKEIE-UHFFFAOYSA-N