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Details

Stereochemistry RACEMIC
Molecular Formula C22H26O5
Molecular Weight 370.4388
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-METHYLHYDROXY SERATRODAST

SMILES

CC1=C(CO)C(=O)C(C)=C(C(CCCCCC(O)=O)C2=CC=CC=C2)C1=O

InChI

InChIKey=AQWOADAKGYZHIB-UHFFFAOYSA-N
InChI=1S/C22H26O5/c1-14-18(13-23)21(26)15(2)20(22(14)27)17(16-9-5-3-6-10-16)11-7-4-8-12-19(24)25/h3,5-6,9-10,17,23H,4,7-8,11-13H2,1-2H3,(H,24,25)

HIDE SMILES / InChI

Approval Year

Name Type Language
5-METHYLHYDROXY SERATRODAST
Common Name English
.ZETA.-(4-(HYDROXYMETHYL)-2,5-DIMETHYL-3,6-DIOXO-1,4-CYCLOHEXADIEN-1-YL)BENZENEHEPTANOIC ACID
Systematic Name English
7-(4-(HYDROXYMETHYL)-2,5-DIMETHYL-3,6-DIOXOCYCLOHEXA-1,4-DIEN-1-YL)-7-PHENYLHEPTANOIC ACID
Systematic Name English
BENZENEHEPTANOIC ACID, .ZETA.-(4-(HYDROXYMETHYL)-2,5-DIMETHYL-3,6-DIOXO-1,4-CYCLOHEXADIEN-1-YL)-
Systematic Name English
Code System Code Type Description
FDA UNII
9S6YQ6LYK4
Created by admin on Sat Dec 16 17:30:33 GMT 2023 , Edited by admin on Sat Dec 16 17:30:33 GMT 2023
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CAS
204137-29-1
Created by admin on Sat Dec 16 17:30:33 GMT 2023 , Edited by admin on Sat Dec 16 17:30:33 GMT 2023
PRIMARY
PUBCHEM
102064314
Created by admin on Sat Dec 16 17:30:33 GMT 2023 , Edited by admin on Sat Dec 16 17:30:33 GMT 2023
PRIMARY