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O-1812

CAT: 0013-GTR19273952-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273952-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
O-1812 is a selective CB1 receptor ligand and functions as a very weak AMT inhibitor. It is utilized in research related to chronic pain, migraines, and inflammation.
CAS Number
342882-77-3
Smiles
C (\C (CCCCC#N) (C) C) =C\C/C=C\C/C=C\C/C=C\CCCC (N[C@@H] (CO) C) =O
Molecular Formula
C26H42N2O2
Molecular Weight
414.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

O-1812

structure in first source

CAS Number342882-77-3
PubChem CID9823107
IUPAC Name(5Z,8Z,11Z,14Z)-20-cyano-N-[(2R)-1-hydroxypropan-2-yl]-16,16-dimethylicosa-5,8,11,14-tetraenamide
Molecular FormulaC26H42N2O2
Molecular Weight414.6
XLogP5.6
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Heavy Atom Count30
Formal Charge0
Complexity606
SMILES
C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C(C)(C)CCCCC#N
InChI
InChI=1S/C26H42N2O2/c1-24(23-29)28-25(30)19-15-12-10-8-6-4-5-7-9-11-13-16-20-26(2,3)21-17-14-18-22-27/h4-5,8-11,16,20,24,29H,6-7,12-15,17-19,21,23H2,1-3H3,(H,28,30)/b5-4-,10-8-,11-9-,20-16-/t24-/m1/s1
InChIKey
WZQHSBKOWZOASP-QLZKPENWSA-N
Chemical Structure
2D Structure
2D structure of O-1812
CAS: 342882-77-3
CID: 9823107
Formula: C26H42N2O2
MW: 414.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.6
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count17
Exact Mass414.324628587
Monoisotopic Mass414.324628587
Topological Polar Surface Area73.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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