CALCIUM MONOETHYLFUMARATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C6H7O4.Ca
Molecular Weight	326.313
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of CALCIUM MONOETHYLFUMARATE

Structure Search

SMILES

[Ca++].CCOC(=O)\C=C\C([O-])=O.CCOC(=O)\C=C\C([O-])=O

InChI

InChIKey=WOONQYHBMBCNDD-SYWGCQIGSA-L

InChI=1S/2C6H8O4.Ca/c2*1-2-10-6(9)4-3-5(7)8;/h2*3-4H,2H2,1H3,(H,7,8);/q;;+2/p-2/b2*4-3+;

HIDE SMILES / InChI

Molecular Formula	C6H7O4
Molecular Weight	143.1174
Charge	-1
Count

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

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

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

Approval Year

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:39:14 GMT 2025` Edited by `admin` on `Mon Mar 31 21:39:14 GMT 2025`
Record UNII	37SBE2S23Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM MONOETHYLFUMARATE

Systematic Name

English

2-BUTENEDIOIC ACID (2E)-, 1-ETHYL ESTER, CALCIUM SALT (2:1)

Preferred Name

English

Calcium monoethylfumarate [WHO-DD]

Common Name

English

ETHYL HYDROGENFUMARATE-CALCIUM

Common Name

English

NSC-103366

Code

English

ETHYL FUMARATE CALCIUM

Systematic Name

English

NSC-245297

Code

English

Code System Code Type Description

PUBCHEM

9840293

Created by admin on Mon Mar 31 21:39:14 GMT 2025 , Edited by admin on Mon Mar 31 21:39:14 GMT 2025

PRIMARY

NSC

103366

Created by admin on Mon Mar 31 21:39:14 GMT 2025 , Edited by admin on Mon Mar 31 21:39:14 GMT 2025

PRIMARY

SMS_ID

100000078971

Created by admin on Mon Mar 31 21:39:14 GMT 2025 , Edited by admin on Mon Mar 31 21:39:14 GMT 2025

PRIMARY

CAS

62008-22-4

Created by admin on Mon Mar 31 21:39:14 GMT 2025 , Edited by admin on Mon Mar 31 21:39:14 GMT 2025

PRIMARY

FDA UNII

37SBE2S23Q

Created by admin on Mon Mar 31 21:39:14 GMT 2025 , Edited by admin on Mon Mar 31 21:39:14 GMT 2025

PRIMARY

NSC

245297

Created by admin on Mon Mar 31 21:39:14 GMT 2025 , Edited by admin on Mon Mar 31 21:39:14 GMT 2025

PRIMARY

EVMPD

SUB13742MIG

Created by admin on Mon Mar 31 21:39:14 GMT 2025 , Edited by admin on Mon Mar 31 21:39:14 GMT 2025

PRIMARY

ECHA (EC/EINECS)

263-369-9

Created by admin on Mon Mar 31 21:39:14 GMT 2025 , Edited by admin on Mon Mar 31 21:39:14 GMT 2025

PRIMARY

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PARENT -> SALT/SOLVATE