Products for Research Use Only
RegisterLogin

ITI-333

CAT: 0013-GTR19236277-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19236277-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
ITI-333 is an orally active, tetracyclic small molecule analgesic used in research to investigate pain mechanisms. Its multi-receptor targeting profile makes it a tool for in vitro binding assays and in vivo models of acute and chronic pain.
CAS Number
2117619-00-6
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C1CN2C=3C ([C@]4 ([C@@]2 (CCN (CCCOC5=CC=C (F) C=C5) C4) [H]) [H]) =CC=CC3N1
Molecular Formula
C22H24FN3O2
Molecular Weight
381.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Khr1glk9D0
CAS Number2117619-00-6
PubChem CID130277831
IUPAC Name(10R,15S)-12-[3-(4-fluorophenoxy)propyl]-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one
Molecular FormulaC22H24FN3O2
Molecular Weight381.4
XLogP3.2
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity568
SMILES
C1CN(C[C@@H]2[C@H]1N3CC(=O)NC4=CC=CC2=C43)CCCOC5=CC=C(C=C5)F
InChI
InChI=1S/C22H24FN3O2/c23-15-5-7-16(8-6-15)28-12-2-10-25-11-9-20-18(13-25)17-3-1-4-19-22(17)26(20)14-21(27)24-19/h1,3-8,18,20H,2,9-14H2,(H,24,27)/t18-,20-/m0/s1
InChIKey
MXIJXDUPULMKIE-ICSRJNTNSA-N
Chemical Structure
2D Structure
2D structure of Khr1glk9D0
CAS: 2117619-00-6
CID: 130277831
Formula: C22H24FN3O2
MW: 381.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass381.18525518
Monoisotopic Mass381.18525518
Topological Polar Surface Area44.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity568
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19210617-01DNK 333
GTR19163277-01AMG-333
GTR19233855-01KT-333
GTR19236630KT-333
GTR19169696-01AMG 333
GTR19177210-01ITI-214
GTR19235059-01KT-333 ammonium
GTR19275691-01CRBN ligand-333
GTR19247704-01Poloxamer 333 (P103)
GTR19233848-01KT-333 diammonium

Alternative Products

CatalogName
HY-163669ITI-333
RGC79928-01AMG 333
HY-128537DNK-333
MBS3601738-01AMG-333
HY-156730-01KT-333
MBS131114-01ABT 333
T69295-01DNK 333

Popular Products