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Details

Stereochemistry MIXED
Molecular Formula C20H29NO3.ClH
Molecular Weight 367.91
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0
Stereo Comments Assumed mixed

SHOW SMILES / InChI
Structure of N-ETHYL-3-PIPERIDYL PHENYLCYCLOPENTYLGLYCOLATE HYDROCHLORIDE

SMILES

Cl.CCN1CCCC(C1)OC(=O)C(O)(C2CCCC2)C3=CC=CC=C3

InChI

InChIKey=SJXOFIDNLMIZHH-UHFFFAOYSA-N
InChI=1S/C20H29NO3.ClH/c1-2-21-14-8-13-18(15-21)24-19(22)20(23,17-11-6-7-12-17)16-9-4-3-5-10-16;/h3-5,9-10,17-18,23H,2,6-8,11-15H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C20H29NO3
Molecular Weight 331.4492
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:10:31 GMT 2023
Edited
by admin
on Fri Dec 15 15:10:31 GMT 2023
Record UNII
A3XNR0EK4Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-ETHYL-3-PIPERIDYL PHENYLCYCLOPENTYLGLYCOLATE HYDROCHLORIDE
Systematic Name English
MANDELIC ACID, .ALPHA.-CYCLOPENTYL-, 1-ETHYL-3-PIPERIDYL ESTER HYDROCHLORIDE
Common Name English
1-ETHYL-3-PIPERIDYL-ALPHA-PHENYLCYCLOPENTYLGLYCOLATE HYDROCHLORIDE
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-CYCLOPENTYL-.ALPHA.-HYDROXY-, 1-ETHYL-3-PIPERIDINYL ESTER, HYDROCHLORIDE (1:1)
Systematic Name English
NSC-232091
Code English
Code System Code Type Description
EPA CompTox
DTXSID50940700
Created by admin on Fri Dec 15 15:10:31 GMT 2023 , Edited by admin on Fri Dec 15 15:10:31 GMT 2023
PRIMARY
NSC
232091
Created by admin on Fri Dec 15 15:10:31 GMT 2023 , Edited by admin on Fri Dec 15 15:10:31 GMT 2023
PRIMARY
CAS
1910-67-4
Created by admin on Fri Dec 15 15:10:31 GMT 2023 , Edited by admin on Fri Dec 15 15:10:31 GMT 2023
PRIMARY
FDA UNII
A3XNR0EK4Q
Created by admin on Fri Dec 15 15:10:31 GMT 2023 , Edited by admin on Fri Dec 15 15:10:31 GMT 2023
PRIMARY
PUBCHEM
10085
Created by admin on Fri Dec 15 15:10:31 GMT 2023 , Edited by admin on Fri Dec 15 15:10:31 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE