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Chemical structure of 11-Dehydro-2,3-dinor-txb2

GC41878

11-Dehydro-2,3-dinor-txb2

Also listed as 11-dehydro-2,3-dinor Thromboxane B2

11-dehydro-2,3-dinor Thromboxane B2 (11-dehydro-2,3-dinor TXB2) has been identified as a TXB2 metabolite in human urine by GC/MS

ChemicalCAS79250-60-5MW340.4FormulaC18H28O6
CAS number
79250-60-5
Molecular weight
340.4
Formula
C18H28O6
Solubility
DMF： >50 mg/ml (from TXB2),DMSO： >25 mg/ml (from TXB2),Ethanol： >100 mg/ml (from TXB2),PBS pH 7·2： >100 μ g/ml (from TXB2)
InChIKey
PJAAKFHMQLYVGV-YCEKRRLLSA-N
Catalogue number
GC41878
Brand
GLPBIO
Computed properties PubChem CID 35024530 · XLogP 1.9 · TPSA 104 Ų · H-bond donors 3
XLogP
1.9
TPSA
104 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
24

SMILES CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC(=O)O1)O)C/C=C\CC(=O)O)O

Computed descriptors from PubChem (CID 35024530), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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