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Thromboxane B2

CAT: 0013-GTR19188496-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188496-01Size:25 mg
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Description
Thromboxane B2 (TXB2) is a stable metabolite of thromboxane A2, released during processes like anaphylaxis. It serves as a key biomarker in cardiovascular, pulmonary, and inflammation research, where its roles in platelet aggregation and vasoconstriction are studied in vitro and in vivo.
CAS Number
54397-85-2
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
CCCCC[C@H] (O) \C=C\[C@H]1OC (O) C[C@H] (O) [C@@H]1C\C=C/CCCC (O) =O
Molecular Formula
C20H34O6
Molecular Weight
370.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thromboxane B2

Thromboxane B2 is a member of the class of thromboxanes B that is (5Z,13E)-thromboxa-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15. It has a role as a mouse metabolite and a human metabolite. It is a conjugate acid of a thromboxane B2(1-).

CAS Number54397-85-2
PubChem CID5283137
IUPAC Name(Z)-7-[(2R,3S,4S)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]hept-5-enoic acid
Molecular FormulaC20H34O6
Molecular Weight370.5
XLogP2.4
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count26
Formal Charge0
Complexity448
SMILES
CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC(O1)O)O)C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,20-22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+,20?/m0/s1
InChIKey
XNRNNGPBEPRNAR-JQBLCGNGSA-N
Chemical Structure
2D Structure
2D structure of Thromboxane B2
CAS: 54397-85-2
CID: 5283137
Formula: C20H34O6
MW: 370.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.5
XLogP32.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass370.23553880
Monoisotopic Mass370.23553880
Topological Polar Surface Area107 Ų
Heavy Atom Count26
Formal Charge0
Complexity448
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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