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956-90-1 molecular structure
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1-(1-phenylcyclohexyl)piperidine hydrochloride

ChemBase ID: 131182
Molecular Formular: C17H26ClN
Molecular Mass: 279.84804
Monoisotopic Mass: 279.17537752
SMILES and InChIs

SMILES:
c1ccc(cc1)C1(CCCCC1)N1CCCCC1.Cl
Canonical SMILES:
C1CCC(CC1)(N1CCCCC1)c1ccccc1.Cl
InChI:
InChI=1S/C17H25N.ClH/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18;/h1,4-5,10-11H,2-3,6-9,12-15H2;1H
InChIKey:
BUAJNGPDPGKBGV-UHFFFAOYSA-N

Cite this record

CBID:131182 http://www.chembase.cn/molecule-131182.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(1-phenylcyclohexyl)piperidine hydrochloride
IUPAC Traditional name
selma hydrochloride
Synonyms
Phencyclidine hydrochloride
1-(1-Phenylcyclohexyl)piperidine Hydrochloride
CI 395
Elysion
GP 121
MCV 4158
NIH 9580
NSC 40902
PCP Hydrochloride
Phencyclidine Monohydrochloride
Phenylcyclidine Hydrochloride
Sernyl
Sernyl Hydrochloride
Sernylan
Phencyclidine Hydrochloride
1-(1-苯基环己基)哌啶 盐酸盐
PCP 盐酸盐
苯环利定 盐酸盐
CAS Number
956-90-1
MDL Number
MFCD00058208
PubChem SID
162225460
PubChem CID
9795678

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 9795678 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.996464  LogD (pH = 7.4) 1.4359076 
Log P 4.488048  Molar Refractivity 77.6465 cm3
Polarizability 30.727394 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
0.1 M HCl: soluble18.4 mg/mL expand Show data source
H2O: soluble11.2 mg/mL expand Show data source
Methanol expand Show data source
methanol: soluble30 mg/mL expand Show data source
Apperance
White Solid expand Show data source
Melting Point
228-230°C expand Show data source
Storage Condition
Controlled Substance, -20°C Freezer expand Show data source
RTECS
TN2272600 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
25 expand Show data source
Safety Statements
36/37-45 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301 expand Show data source
GHS Precautionary statements
P301 + P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Drug Control
USDEA Schedule II; Home Office Schedule 2; stupéfiant; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada expand Show data source
Certificate of Analysis
Download expand Show data source
Quality Level
PREMIUM expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - P3029 external link
Biochem/physiol Actions
σ opioid receptor agonist and psychostimulant; inhibits NMDA glutamate receptor activation by binding to an allosteric site within the ion channel.
Toronto Research Chemicals - P295500 external link
Anesthetic (intravenous). Controlled substance (depressant).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Chen, G., et al.: J. Pharmacol. Exp. Ther., 127, 241 (1959)
  • • Bailey, K., et al.: J. Pharm. Pharmacol., 28, 713 (1959)
  • • Balster, R.L., J. Psychedelic Drugs., 10115 (1959)
  • • Johnson, K.M., et al.: Annu. Rev. Pharmacol. Toxicol., 30, 707 (1959)
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PATENTS

PATENTS

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INTERNET

INTERNET

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