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

Details

Stereochemistry RACEMIC
Molecular Formula C22H31NO3.ClH
Molecular Weight 393.947
Optical Activity ( + / - )
Defined Stereocenters 2 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENCYNONATE HYDROCHLORIDE

SMILES

Cl.CN1C[C@@H]2CCC[C@H](C1)[C@@H]2OC(=O)C(O)(C3CCCC3)C4=CC=CC=C4

InChI

InChIKey=AUKYHFFECJXLHI-UHFFFAOYSA-N
InChI=1S/C22H31NO3.ClH/c1-23-14-16-8-7-9-17(15-23)20(16)26-21(24)22(25,19-12-5-6-13-19)18-10-3-2-4-11-18;/h2-4,10-11,16-17,19-20,25H,5-9,12-15H2,1H3;1H

HIDE SMILES / InChI

Approval Year

Name Type Language
PHENCYNONATE HYDROCHLORIDE
Common Name English
BENZENEACETIC ACID, .ALPHA.-CYCLOPENTYL-.ALPHA.-HYDROXY-, (9-ANTI)-3-METHYL-3-AZABICYCLO(3.3.1)NON-9-YL ESTER, HYDROCHLORIDE (1:1)
Common Name English
Phencynonate hydrochloride [WHO-DD]
Common Name English
Code System Code Type Description
PUBCHEM
9821969
Created by admin on Sat Dec 16 02:31:11 UTC 2023 , Edited by admin on Sat Dec 16 02:31:11 UTC 2023
PRIMARY
CAS
172451-71-7
Created by admin on Sat Dec 16 02:31:11 UTC 2023 , Edited by admin on Sat Dec 16 02:31:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID90938161
Created by admin on Sat Dec 16 02:31:11 UTC 2023 , Edited by admin on Sat Dec 16 02:31:11 UTC 2023
PRIMARY
FDA UNII
54F576E38V
Created by admin on Sat Dec 16 02:31:11 UTC 2023 , Edited by admin on Sat Dec 16 02:31:11 UTC 2023
PRIMARY