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Chemical structure of 5-cis Iloprost

GC40976

5-cis Iloprost

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

5-cis Iloprost is the C-5 cis-isomer of iloprost, a second generation structural analog of prostaglandin I2 (prostacyclin)

ChemicalCAS82889-99-4MW360.5FormulaC22H32O4
CAS number
82889-99-4
Molecular weight
360.5
Formula
C22H32O4
Solubility
DMF： 30 mg/ml,DMSO： 25 mg/ml,Ethanol： 30 mg/ml,PBS (pH 7·2)： 1 mg/ml
InChIKey
HIFJCPQKFCZDDL-UGQITTIWSA-N
Catalogue number
GC40976
Brand
GLPBIO
Computed properties PubChem CID 10937300 · XLogP 2.8 · TPSA 77.8 Ų · H-bond donors 3
XLogP
2.8
TPSA
77.8 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
26

SMILES CC#CCC(C)[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 10937300), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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