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Vapiprost hydrochloride

CAT: 0931-T35038Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T35038Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
87248-13-3
Target
Others, Prostaglandin Receptor
Related Pathways
Immunology/Inflammation, GPCR/G Protein, Others
Bioactivity
Vapiprost hydrochloride is a biochemicla.
Smiles
Cl.O[C@H]1C[C@H](OCc2ccc(cc2)-c2ccccc2)[C@H](CC\C=C/CCC(O)=O)[C@H]1N1CCCCC1
Molecular Formula
C30H40ClNO4
Molecular Weight
514.1
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Vapiprost Hydrochloride

See also: Vapiprost (has active moiety).

CAS Number87248-13-3
PubChem CID6918029
IUPAC Name(Z)-7-[(1R,2R,3S,5S)-3-hydroxy-5-[(4-phenylphenyl)methoxy]-2-piperidin-1-ylcyclopentyl]hept-4-enoic acid;hydrochloride
Molecular FormulaC30H40ClNO4
Molecular Weight514.1
Topological Polar Surface Area70
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity647
SMILES
C1CCN(CC1)[C@H]2[C@H](C[C@@H]([C@@H]2CC/C=C\CCC(=O)O)OCC3=CC=C(C=C3)C4=CC=CC=C4)O.Cl
InChI
InChI=1S/C30H39NO4.ClH/c32-27-21-28(35-22-23-15-17-25(18-16-23)24-11-5-3-6-12-24)26(13-7-1-2-8-14-29(33)34)30(27)31-19-9-4-10-20-31;/h1-3,5-6,11-12,15-18,26-28,30,32H,4,7-10,13-14,19-22H2,(H,33,34);1H/b2-1-;/t26-,27-,28-,30+;/m0./s1
InChIKey
ZYOBZRTZRQKKNC-UGNABIHOSA-N
Chemical Structure
2D Structure
2D structure of Vapiprost Hydrochloride
CAS: 87248-13-3
CID: 6918029
Formula: C30H40ClNO4
MW: 514.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass513.2645865
Monoisotopic Mass513.2645865
Topological Polar Surface Area70 Ų
Heavy Atom Count36
Formal Charge0
Complexity647
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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