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ONO-2952

CAT: 0013-GTR19204212-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204212-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ONO-2952
CAS Number
895169-20-7
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
COc1cc (Cl) ccc1[C@@H]1N (CC2 (CC2) c2c1[nH]c1cccc (F) c21) C (C) =O
Molecular Formula
C22H20ClFN2O2
Molecular Weight
398.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ono-2952

ONO-2952 is under investigation in clinical trial NCT01887002 (Study to Evaluate the Effects of ONO-2952 on Pain Perception Produced by Rectal Distention in Female Subjects With Diarrhea-Predominant Irritable Bowel Syndrome (IBS-D)).

CAS Number895169-20-7
PubChem CID11524127
IUPAC Name1-[(1S)-1-(4-chloro-2-methoxyphenyl)-5-fluorospiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,1'-cyclopropane]-2-yl]ethanone
Molecular FormulaC22H20ClFN2O2
Molecular Weight398.9
XLogP4.1
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity630
SMILES
CC(=O)N1CC2(CC2)C3=C([C@@H]1C4=C(C=C(C=C4)Cl)OC)NC5=C3C(=CC=C5)F
InChI
InChI=1S/C22H20ClFN2O2/c1-12(27)26-11-22(8-9-22)19-18-15(24)4-3-5-16(18)25-20(19)21(26)14-7-6-13(23)10-17(14)28-2/h3-7,10,21,25H,8-9,11H2,1-2H3/t21-/m0/s1
InChIKey
ZBQMTQGDBFZUBG-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of Ono-2952
CAS: 895169-20-7
CID: 11524127
Formula: C22H20ClFN2O2
MW: 398.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.9
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass398.1197337
Monoisotopic Mass398.1197337
Topological Polar Surface Area45.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity630
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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