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Chemical structure of L-670,596

GC13609

L-670,596

Also known as 2-[6,8-difluoro-9-[(4-methylsulfonylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid

thromboxane A2/prostaglandin endoperoxide receptor antagonist

ChemicalCAS121083-05-4MW433.47FormulaC22H21F2NO4S
CAS number
121083-05-4
Molecular weight
433.47
Formula
C22H21F2NO4S
Solubility
＜43·35mg/ml in 1·1eq· NaOH
InChIKey
GMJWAIMJHBTYPD-UHFFFAOYSA-N
Catalogue number
GC13609
Brand
GLPBIO
Computed properties PubChem CID 129360 · XLogP 3.6 · TPSA 84.8 Ų · H-bond donors 1
XLogP
3.6
TPSA
84.8 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30

SMILES CS(=O)(=O)C1=CC=C(C=C1)CN2C3=C(CCCC3CC(=O)O)C4=C2C(=CC(=C4)F)F

Computed descriptors from PubChem (CID 129360), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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