5-METHYLHYDROXY SERATRODAST

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

Structure Search

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

Molecular Formula	C22H26O5
Molecular Weight	370.4388
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:30:32 GMT 2023` Edited by `admin` on `Sat Dec 16 17:30:32 GMT 2023`
Record UNII	9S6YQ6LYK4
Record Status	`Validated (UNII)`
Record Version

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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

PRIMARY

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

Related Record Type Details


					4U58JM421N

SERATRODAST

PARENT -> METABOLITE

Comments:

in human liver microsomes

Interaction Type:

MAJOR