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Chemical structure of TAK-778

GC34175

TAK-778

Also known as (6R,8S)-N-[4-(diethoxyphosphorylmethyl)phenyl]-8-methyl-9-oxo-5,6-dihydrothiepino[4,5-f][1,3]benzodioxole-6-carboxamide

TAK-778 is a derivative of ipriflavone and has been shown to induce bone growth in in vitro and in vivo models

ChemicalCAS180185-61-9MW505.52FormulaC24H28NO7PS
CAS number
180185-61-9
Molecular weight
505.52
Formula
C24H28NO7PS
Solubility
Soluble in DMSO
InChIKey
WXACSCNLLDFZHE-OYHNWAKOSA-N
Catalogue number
GC34175
Brand
GLPBIO
Computed properties PubChem CID 9806177 · XLogP 3.3 · TPSA 125 Ų · H-bond donors 1
XLogP
3.3
TPSA
125 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
34

SMILES CCOP(=O)(CC1=CC=C(C=C1)NC(=O)[C@H]2CC3=CC4=C(C=C3C(=O)[C@@H](S2)C)OCO4)OCC

Computed descriptors from PubChem (CID 9806177), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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