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Chemical structure of Carbacyclin

GC26632

Carbacyclin

Also known as (5Z)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid

Carbacyclin is a PGI2 analogue, acts as a prostacyclin (PGI2) receptor agonist and vasodilator, and potently inhibits platelet aggregation

ChemicalCAS69552-46-1MW350.49FormulaC21H34O4
CAS number
69552-46-1
Molecular weight
350.49
Formula
C21H34O4
Solubility
DMSO ： 5 mg/mL (14·27 mM; Need ultrasonic and warming)
InChIKey
XZFRIPGNUQRGPI-WLPVIMDJSA-N
Catalogue number
GC26632
Brand
GLPBIO
Computed properties PubChem CID 5311242 · XLogP 3.2 · TPSA 77.8 Ų · H-bond donors 3
XLogP
3.2
TPSA
77.8 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
25

SMILES CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C\CCCC(=O)O)/C2)O)O

Computed descriptors from PubChem (CID 5311242), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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