U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C18H27NO.ClH
Molecular Weight 309.874
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHOXYPHENCYCLIDINE HYDROCHLORIDE

SMILES

Cl.COC1=CC=C(C=C1)C2(CCCCC2)N3CCCCC3

InChI

InChIKey=FYAFJNVLHWQLHK-UHFFFAOYSA-N
InChI=1S/C18H27NO.ClH/c1-20-17-10-8-16(9-11-17)18(12-4-2-5-13-18)19-14-6-3-7-15-19;/h8-11H,2-7,12-15H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C18H27NO
Molecular Weight 273.4131
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
404.0 nM [Ki]
Target ID: CHEMBL228
Sources: ncbi.nlm.nih.gov/pubmed/23527166
844.0 nM [Ki]
713.0 nM [Ki]
Target ID: Q99720|||Q7Z653
Gene ID: 10280.0
Gene Symbol: SIGMAR1
Target Organism: Homo sapiens (Human)
296.0 nM [Ki]
Target ID: Q5BJF2
Gene ID: 27346.0
Gene Symbol: TMEM97
Target Organism: Homo sapiens (Human)
143.0 nM [Ki]
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:22:26 GMT 2023
Edited
by admin
on Sat Dec 16 10:22:26 GMT 2023
Record UNII
E9ADT7AW3J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHOXYPHENCYCLIDINE HYDROCHLORIDE
Common Name English
1-(1-(4-METHOXYPHENYL)CYCLOHEXYL)PIPERIDINE HCL
Systematic Name English
4-METHOXY PCP (HYDROCHLORIDE)
Common Name English
1-(1-(4-METHOXYPHENYL)CYCLOHEXYL)PIPERIDINE HYDROCHLORIDE
Systematic Name English
PIPERIDINE, 1-(1-(4-METHOXYPHENYL)CYCLOHEXYL)-, HYDROCHLORIDE
Systematic Name English
4-METHOXY PHENCYCLIDINE HYDROCHLORIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80858001
Created by admin on Sat Dec 16 10:22:26 GMT 2023 , Edited by admin on Sat Dec 16 10:22:26 GMT 2023
PRIMARY
CAS
2185-93-5
Created by admin on Sat Dec 16 10:22:26 GMT 2023 , Edited by admin on Sat Dec 16 10:22:26 GMT 2023
PRIMARY
FDA UNII
E9ADT7AW3J
Created by admin on Sat Dec 16 10:22:26 GMT 2023 , Edited by admin on Sat Dec 16 10:22:26 GMT 2023
PRIMARY
PUBCHEM
71750128
Created by admin on Sat Dec 16 10:22:26 GMT 2023 , Edited by admin on Sat Dec 16 10:22:26 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT