13726-69-7 Purity
98%
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Specification
The molecular formula of Tak875 is C29H32O7S.
The molecular weight of Tak875 is 524.6 g/mol.
Tak875 was created on 2008-07-28 and last modified on 2023-12-30.
Some synonyms for Tak875 include Fasiglifam, TAK-875, and TAK875.
The IUPAC name of Tak875 is 2-[(3S)-6-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.
The InChIKey of Tak875 is BZCALJIHZVNMGJ-HSZRJFAPSA-N.
The Canonical SMILES of Tak875 is CC1=CC(=CC(=C1C2=CC=CC(=C2)COC3=CC4=C(C=C3)C(CO4)CC(=O)O)C)OCCCS(=O)(=O)C.
The CAS number of Tak875 is 1000413-72-8.
Tak875 has 1 hydrogen bond donor count.
The topological polar surface area of Tak875 is 108 Å2.