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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H31NO2
Molecular Weight 317.4656
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DROFENINE, (S)-

SMILES

CCN(CC)CCOC(=O)[C@@H](C1CCCCC1)C2=CC=CC=C2

InChI

InChIKey=AGJBLWCLQCKRJP-LJQANCHMSA-N
InChI=1S/C20H31NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H31NO2
Molecular Weight 317.4656
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:39:27 GMT 2025
Edited
by admin
on Mon Mar 31 22:39:27 GMT 2025
Record UNII
3V21Q90077
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENEACETIC ACID, .ALPHA.-CYCLOHEXYL-, 2-(DIETHYLAMINO)ETHYL ESTER, (.ALPHA.S)-
Preferred Name English
DROFENINE, (S)-
Common Name English
Code System Code Type Description
CAS
248939-83-5
Created by admin on Mon Mar 31 22:39:27 GMT 2025 , Edited by admin on Mon Mar 31 22:39:27 GMT 2025
PRIMARY
PUBCHEM
38988270
Created by admin on Mon Mar 31 22:39:27 GMT 2025 , Edited by admin on Mon Mar 31 22:39:27 GMT 2025
PRIMARY
FDA UNII
3V21Q90077
Created by admin on Mon Mar 31 22:39:27 GMT 2025 , Edited by admin on Mon Mar 31 22:39:27 GMT 2025
PRIMARY
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