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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H20O3
Molecular Weight 248.3175
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LOXOPROFEN TRANS-ALCOHOL, (2S,1'R,2'S)-

SMILES

C[C@H](C(O)=O)C1=CC=C(C[C@H]2CCC[C@@H]2O)C=C1

InChI

InChIKey=SHAHPWSYJFYMRX-GDLCADMTSA-N
InChI=1S/C15H20O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13-14,16H,2-4,9H2,1H3,(H,17,18)/t10-,13+,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H20O3
Molecular Weight 248.3175
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:29:09 GMT 2023
Edited
by admin
on Sat Dec 16 08:29:09 GMT 2023
Record UNII
926CB5J9Z0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LOXOPROFEN TRANS-ALCOHOL, (2S,1'R,2'S)-
Common Name English
BENZENEACETIC ACID, 4-(((1R,2S)-2-HYDROXYCYCLOPENTYL)METHYL)-.ALPHA.-METHYL-, REL-
Systematic Name English
LOXOPROFEN ACTIVE METABOLITE
Common Name English
BENZENEACETIC ACID, 4-(((1R,2S)-2-HYDROXYCYCLOPENTYL)METHYL)-.ALPHA.-METHYL-, (.ALPHA.S)-
Systematic Name English
LOXOPROFEN SRS
Common Name English
LOXOPROFEN-(2S,1'R,2'S)-TRANS-ALCOHOL
Common Name English
Code System Code Type Description
FDA UNII
926CB5J9Z0
Created by admin on Sat Dec 16 08:29:09 GMT 2023 , Edited by admin on Sat Dec 16 08:29:09 GMT 2023
PRIMARY
CHEBI
76204
Created by admin on Sat Dec 16 08:29:09 GMT 2023 , Edited by admin on Sat Dec 16 08:29:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID50522065
Created by admin on Sat Dec 16 08:29:09 GMT 2023 , Edited by admin on Sat Dec 16 08:29:09 GMT 2023
PRIMARY
PUBCHEM
10037656
Created by admin on Sat Dec 16 08:29:09 GMT 2023 , Edited by admin on Sat Dec 16 08:29:09 GMT 2023
PRIMARY
CAS
107655-73-2
Created by admin on Sat Dec 16 08:29:09 GMT 2023 , Edited by admin on Sat Dec 16 08:29:09 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
83648-76-4
Created by admin on Sat Dec 16 08:29:09 GMT 2023 , Edited by admin on Sat Dec 16 08:29:09 GMT 2023
PRIMARY
CAS
371753-19-4
Created by admin on Sat Dec 16 08:29:09 GMT 2023 , Edited by admin on Sat Dec 16 08:29:09 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
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ACTIVE MOIETY