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Chemical structure of Carbocyclic Thromboxane A2

GC18837

Carbocyclic Thromboxane A2

Also known as (Z)-7-[(2S,3R)-3-[(E,3S)-3-hydroxyoct-1-enyl]-2-bicyclo[3.1.1]heptanyl]hept-5-enoic acid

CTA2 is a stable analog of TXA2

ChemicalCAS74034-56-3MW348.5FormulaC22H36O3
CAS number
74034-56-3
Molecular weight
348.5
Formula
C22H36O3
Solubility
DMF： >50 mg/ml (from Pinane TXA2),DMSO： >25 mg/ml (from Pinane TXA2),Ethanol： >100 mg/ml (from Pinane TXA2),PBS pH 7·2： >100 μ g/ml (from Pinane TXA2)
InChIKey
ZIWNJZLXPXFNGN-GXTQQWMXSA-N
Catalogue number
GC18837
Brand
GLPBIO
Computed properties PubChem CID 5311387 · XLogP 5.5 · TPSA 57.5 Ų · H-bond donors 2
XLogP
5.5
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
25

SMILES CCCCC[C@@H](/C=C/[C@H]1CC2CC(C2)[C@@H]1C/C=C\CCCC(=O)O)O

Computed descriptors from PubChem (CID 5311387), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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