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Details

Stereochemistry MIXED
Molecular Formula C17H25NO2S
Molecular Weight 307.451
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEOTROPINE

SMILES

CCN(CC)CCOC(=O)C(C1CCC=C1)C2=CC=CS2

InChI

InChIKey=PAQHBGYZMGCRMG-UHFFFAOYSA-N
InChI=1S/C17H25NO2S/c1-3-18(4-2)11-12-20-17(19)16(14-8-5-6-9-14)15-10-7-13-21-15/h5,7-8,10,13-14,16H,3-4,6,9,11-12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H25NO2S
Molecular Weight 307.451
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:11:59 GMT 2025
Edited
by admin
on Mon Mar 31 21:11:59 GMT 2025
Record UNII
NX9B3335J1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
W-290
Preferred Name English
NEOTROPINE
Common Name English
2-THIOPHENEACETIC ACID, .ALPHA.-2-CYCLOPENTEN-1-YL-, 2-(DIETHYLAMINO)ETHYL ESTER
Common Name English
Code System Code Type Description
FDA UNII
NX9B3335J1
Created by admin on Mon Mar 31 21:11:59 GMT 2025 , Edited by admin on Mon Mar 31 21:11:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID001023815
Created by admin on Mon Mar 31 21:11:59 GMT 2025 , Edited by admin on Mon Mar 31 21:11:59 GMT 2025
PRIMARY
PUBCHEM
14988
Created by admin on Mon Mar 31 21:11:59 GMT 2025 , Edited by admin on Mon Mar 31 21:11:59 GMT 2025
PRIMARY
CAS
53230-07-2
Created by admin on Mon Mar 31 21:11:59 GMT 2025 , Edited by admin on Mon Mar 31 21:11:59 GMT 2025
PRIMARY