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

Details

Stereochemistry MIXED
Molecular Formula C20H29NO2.ClH
Molecular Weight 351.911
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-METHYLPYRROLIDIN-1-YL)ETHYL 2-CYCLOPENTYL-2-PHENYLACETATE HYDROCHLORIDE

SMILES

Cl.CC1CCCN1CCOC(=O)C(C2CCCC2)C3=CC=CC=C3

InChI

InChIKey=GVWKOQUIZVLMOU-UHFFFAOYSA-N
InChI=1S/C20H29NO2.ClH/c1-16-8-7-13-21(16)14-15-23-20(22)19(18-11-5-6-12-18)17-9-3-2-4-10-17;/h2-4,9-10,16,18-19H,5-8,11-15H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C20H29NO2
Molecular Weight 315.4498
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 Sat Dec 16 07:32:43 GMT 2023
Edited
by admin
on Sat Dec 16 07:32:43 GMT 2023
Record UNII
HFF45BV2B3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2-METHYLPYRROLIDIN-1-YL)ETHYL 2-CYCLOPENTYL-2-PHENYLACETATE HYDROCHLORIDE
Systematic Name English
NSC-5116
Code English
BENZENEACETIC ACID, .ALPHA.-CYCLOPENTYL-, 2-(2-METHYL-1-PYRROLIDINYL)ETHYL ESTER, HYDROCHLORIDE (1:1)
Systematic Name English
CYCLOPENTANEACETIC ACID, .ALPHA.-PHENYL-, 2-(2-METHYL-1-PYRROLIDINYL)ETHYL ESTER, HYDROCHLORIDE
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-CYCLOPENTYL-, 2-(2-METHYL-1-PYRROLIDINYL)ETHYL ESTER, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
NSC
5116
Created by admin on Sat Dec 16 07:32:43 GMT 2023 , Edited by admin on Sat Dec 16 07:32:43 GMT 2023
PRIMARY
FDA UNII
HFF45BV2B3
Created by admin on Sat Dec 16 07:32:43 GMT 2023 , Edited by admin on Sat Dec 16 07:32:43 GMT 2023
PRIMARY
CAS
5402-40-4
Created by admin on Sat Dec 16 07:32:43 GMT 2023 , Edited by admin on Sat Dec 16 07:32:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID50636151
Created by admin on Sat Dec 16 07:32:43 GMT 2023 , Edited by admin on Sat Dec 16 07:32:43 GMT 2023
PRIMARY
PUBCHEM
24181129
Created by admin on Sat Dec 16 07:32:43 GMT 2023 , Edited by admin on Sat Dec 16 07:32:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE