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Gacyclidine (hydrochloride)

CAT: 0804-HY-15410ASize: 1 EachDry Ice: NoHazardous: No
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Description
Gacyclidine hydrochloride, a non competitive N-methyl-D-aspartate (NMDA) antagonist, can be used in the study of spinal cord injuries[1].
CAS Number
131774-33-9
UNSPSC
12352005
Target
IGluR
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/gacyclidine-hydrochloride.html
Smiles
C[C@H]1[C@@](C2=CC=CS2)(N3CCCCC3)CCCC1.Cl
Molecular Formula
C16H26ClNS
Molecular Weight
299.90
References & Citations
[1]G Hoizey, et al. Determination of gacyclidine enantiomers in human plasma by gas chromatography–mass spectrometry using selected-ion monitoring. J Chromatogr B Biomed Sci Appl. 1997 Dec 19;704 (1-2) :167-74.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Gacyclidine hydrochloride
CAS Number131774-33-9
PubChem CID67111961
IUPAC Name1-[(1R,2S)-2-methyl-1-thiophen-2-ylcyclohexyl]piperidine;hydrochloride
Molecular FormulaC16H26ClNS
Molecular Weight299.9
Topological Polar Surface Area31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity274
SMILES
C[C@H]1CCCC[C@@]1(C2=CC=CS2)N3CCCCC3.Cl
InChI
InChI=1S/C16H25NS.ClH/c1-14-8-3-4-10-16(14,15-9-7-13-18-15)17-11-5-2-6-12-17;/h7,9,13-14H,2-6,8,10-12H2,1H3;1H/t14-,16+;/m0./s1
InChIKey
AJPKYPDCAXFLDK-KUARMEPBSA-N
Chemical Structure
2D Structure
2D structure of Gacyclidine hydrochloride
CAS: 131774-33-9
CID: 67111961
Formula: C16H26ClNS
MW: 299.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight299.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass299.1474487
Monoisotopic Mass299.1474487
Topological Polar Surface Area31.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity274
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes