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Details

Stereochemistry RACEMIC
Molecular Formula C16H23NO2.ClH
Molecular Weight 297.82
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETOXADROL HYDROCHLORIDE, (±)-

SMILES

Cl.[H][C@@]1(CO[C@@](CC)(O1)C2=CC=CC=C2)[C@]3([H])CCCCN3

InChI

InChIKey=YXNTVNNAXUKHQM-CLUYDPBTSA-N
InChI=1S/C16H23NO2.ClH/c1-2-16(13-8-4-3-5-9-13)18-12-15(19-16)14-10-6-7-11-17-14;/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3;1H/t14-,15+,16-;/m0./s1

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
ETOXADROL HYDROCHLORIDE, (±)-
Common Name English
PIPERIDINE, 2-(2-ETHYL-2-PHENYL-1,3-DIOXOLAN-4-YL)-, (2.ALPHA.,4.BETA.(R*))-(±)-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
20056543
Created by admin on Fri Dec 15 15:10:16 UTC 2023 , Edited by admin on Fri Dec 15 15:10:16 UTC 2023
PRIMARY
FDA UNII
9A5JD3CML6
Created by admin on Fri Dec 15 15:10:16 UTC 2023 , Edited by admin on Fri Dec 15 15:10:16 UTC 2023
PRIMARY
CAS
2650241-86-2
Created by admin on Fri Dec 15 15:10:16 UTC 2023 , Edited by admin on Fri Dec 15 15:10:16 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
PARENT (SALT/SOLVATE)
Structure of ETOXADROL
PARENT (SALT/SOLVATE)
Structure of ETOXADROL, (±)-
NIH
NCATS
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