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CCD-3693

CAT: 0013-GTR19197942-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197942-02Size:50 mg
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Description
CCD-3693 is a small molecule agonist targeting gamma-aminobutyric acid (GABA) receptors. It is utilized in neuroscience research to study GABAergic signaling, neuronal inhibition, and related physiological processes in both in vitro and in vivo experimental models.
CAS Number
162883-07-0
Field of Research
Neuroscience, Pharmacology & Drug Discovery, Stem Cell & Developmental Biology
Smiles
C[C@@]12[C@] ([C@]3 ([C@@] ([C@@]4 ([C@] (CC3) (C[C@] (C (F) (F) F) (O) CC4) [H]) [H]) (CC1) [H]) [H]) (CC[C@@H]2C (C) =O) [H]
Molecular Formula
C21H31F3O2
Molecular Weight
372.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ccd-3693

structure in first source

CAS Number162883-07-0
PubChem CID192705
IUPAC Name1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-3-(trifluoromethyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
Molecular FormulaC22H33F3O2
Molecular Weight386.5
XLogP5.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity632
SMILES
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@](C4)(C(F)(F)F)O)C)C
InChI
InChI=1S/C22H33F3O2/c1-13(26)16-6-7-17-15-5-4-14-12-21(27,22(23,24)25)11-10-19(14,2)18(15)8-9-20(16,17)3/h14-18,27H,4-12H2,1-3H3/t14-,15-,16+,17-,18-,19-,20+,21-/m0/s1
InChIKey
BLMOPJSSNJGYSZ-PECKBWEZSA-N
Chemical Structure
2D Structure
2D structure of Ccd-3693
CAS: 162883-07-0
CID: 192705
Formula: C22H33F3O2
MW: 386.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.5
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass386.24326478
Monoisotopic Mass386.24326478
Topological Polar Surface Area37.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity632
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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