FUMARPROTOCETRARIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H16O12
Molecular Weight	472.3552
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C2C(OC3=C(C)C(C(O)=O)=C(O)C(COC(=O)\C=C\C(O)=O)=C3OC2=O)=C(C=O)C(O)=C1

InChI

InChIKey=VEGGRTFDFMUBPD-ONEGZZNKSA-N

InChI=1S/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,24,28H,7H2,1-2H3,(H,25,26)(H,29,30)/b4-3+

HIDE SMILES / InChI

Molecular Formula	C22H16O12
Molecular Weight	472.3552
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
peroxyl radicals 1 Target ID: peroxyl radicals Sources: https://www.ncbi.nlm.nih.gov/pubmed/28041784	Binding Agent 1064

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:55:27 UTC 2023` Edited by `admin` on `Sat Dec 16 07:55:27 UTC 2023`
Record UNII	5VJ6J3A960
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FUMARPROTOCETRARIC ACID

Common Name

English

FUMAROPROTOCETRARIC ACID

Common Name

English

2-BUTENEDIOIC ACID (2E)-, 1-((7-CARBOXY-4-FORMYL-3,8-DIHYDROXY-1,6-DIMETHYL-11-OXO-11H-DIBENZO(B,E)(1,4)DIOXEPIN-9-YL)METHYL) ESTER

Systematic Name

English

FUMARIC ACID, 9-MONOESTER WITH 4-FORMYL-3,8-DIHYDROXY-9-(HYDROXYMETHYL)-1,6-DIMETHYL-11-OXO-11H-DIBENZO(B,E)(1,4)DIOXEPIN-7-CARBOXYLIC ACID

Systematic Name

English

NSC-685588

Code

English

NSC-249984

Code

English

Code System Code Type Description

NSC

249984