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Spiriprostil

CAT: 0931-T202495-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T202495-02Size:50 mg
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CAS Number
122946-42-3
Bioactivity
Spiriprostil (IBI-P-01028 or R, S-cis-6- (6'-carboxyhexyl) -7-trans-n-hexyl-1,3-diazaspiro-[4-4]-nonan-2,4-dione) functions as an anti-ulcer agent and exhibits cytoprotective properties.
Smiles
C(CCCCCC(O)=O)[C@@H]1[C@@]2(CC[C@H]1CCCCCC)NC(=O)NC2=O
Molecular Formula
C20H34N2O4
Molecular Weight
366.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Spiriprostil
CAS Number122946-42-3
PubChem CID6445090
IUPAC Name7-[(5S,8S,9R)-8-hexyl-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]heptanoic acid
Molecular FormulaC20H34N2O4
Molecular Weight366.5
XLogP4.9
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count26
Formal Charge0
Complexity508
SMILES
CCCCCC[C@H]1CC[C@]2([C@@H]1CCCCCCC(=O)O)C(=O)NC(=O)N2
InChI
InChI=1S/C20H34N2O4/c1-2-3-4-7-10-15-13-14-20(18(25)21-19(26)22-20)16(15)11-8-5-6-9-12-17(23)24/h15-16H,2-14H2,1H3,(H,23,24)(H2,21,22,25,26)/t15-,16+,20-/m0/s1
InChIKey
FFUQYYWTQVXVNM-YRNRMSPPSA-N
Chemical Structure
2D Structure
2D structure of Spiriprostil
CAS: 122946-42-3
CID: 6445090
Formula: C20H34N2O4
MW: 366.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight366.5
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass366.25185757
Monoisotopic Mass366.25185757
Topological Polar Surface Area95.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity508
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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