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Nileprost

CAT: 0926-WCA09783-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-WCA09783-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
71097-83-1
Smiles
CCCCC (C) C (C=CC1C (CC2C1CC (=C (CCCC (=O) O) C#N) O2) O) O
Molecular Formula
C22H33NO5
Molecular Weight
391.5 g/mol
Controlled
No

Chemical Information

Nileprost

stable prostacyclin analog; RN given refers to (E)-(3aR,4R,5R,6aS)(E)-(3S,4RS)-isomer

CAS Number71097-83-1
PubChem CID6436100
IUPAC Name(5E)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]-5-cyanopentanoic acid
Molecular FormulaC22H33NO5
Molecular Weight391.5
XLogP2.9
Topological Polar Surface Area111
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity647
SMILES
CCCCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C(/CCCC(=O)O)\C#N)/O2)O)O
InChI
InChI=1S/C22H33NO5/c1-3-4-6-14(2)18(24)10-9-16-17-11-20(28-21(17)12-19(16)25)15(13-23)7-5-8-22(26)27/h9-10,14,16-19,21,24-25H,3-8,11-12H2,1-2H3,(H,26,27)/b10-9+,20-15+/t14?,16-,17-,18-,19-,21+/m1/s1
InChIKey
OJIGXQJDLFUVFM-MBLRWRSDSA-N
Chemical Structure
2D Structure
2D structure of Nileprost
CAS: 71097-83-1
CID: 6436100
Formula: C22H33NO5
MW: 391.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.5
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass391.23587315
Monoisotopic Mass391.23587315
Topological Polar Surface Area111 Ų
Heavy Atom Count28
Formal Charge0
Complexity647
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-106790Nileprost

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