U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H11Cl2O4.Na
Molecular Weight 325.12
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHACRYNATE SODIUM

SMILES

[Na+].CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC([O-])=O)C=C1

InChI

InChIKey=CWCSCNSKBSCYCS-UHFFFAOYSA-M
InChI=1S/C13H12Cl2O4.Na/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17;/h4-5H,2-3,6H2,1H3,(H,16,17);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H11Cl2O4
Molecular Weight 302.13
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:48:08 UTC 2023
Edited
by admin
on Fri Dec 15 15:48:08 UTC 2023
Record UNII
K41MYV7MPM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHACRYNATE SODIUM
ORANGE BOOK   USAN   USP   VANDF  
USAN  
Official Name English
Etacrynate sodium [WHO-DD]
Common Name English
ETHACRYNATE SODIUM [USP IMPURITY]
Common Name English
ETACRYNATE SODIUM
WHO-DD  
Common Name English
ETHACRYNIC ACID SODIUM SALT [MI]
Common Name English
SODIUM ETACRYNATE [MART.]
Common Name English
ETHACRYNIC ACID SODIUM SALT
MI  
Common Name English
Sodium [2,3-dichloro-4-(2-methylenebutyryl)phenoxy]acetate
Systematic Name English
ETHACRYNATE SODIUM [USAN]
Common Name English
ACETIC ACID, (2,3-DICHLORO-4-(2-METHYLENE-1-OXOBUTYL)PHENOXY)-, SODIUM SALT
Common Name English
ETHACRYNATE SODIUM [VANDF]
Common Name English
ETHACRYNATE SODIUM [ORANGE BOOK]
Common Name English
SODIUM ETHACRYNATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C49184
Created by admin on Fri Dec 15 15:48:08 UTC 2023 , Edited by admin on Fri Dec 15 15:48:08 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C47993
Created by admin on Fri Dec 15 15:48:08 UTC 2023 , Edited by admin on Fri Dec 15 15:48:08 UTC 2023
PRIMARY
CAS
6500-81-8
Created by admin on Fri Dec 15 15:48:08 UTC 2023 , Edited by admin on Fri Dec 15 15:48:08 UTC 2023
PRIMARY
PUBCHEM
23668825
Created by admin on Fri Dec 15 15:48:08 UTC 2023 , Edited by admin on Fri Dec 15 15:48:08 UTC 2023
PRIMARY
MERCK INDEX
m5042
Created by admin on Fri Dec 15 15:48:08 UTC 2023 , Edited by admin on Fri Dec 15 15:48:08 UTC 2023
PRIMARY Merck Index
FDA UNII
K41MYV7MPM
Created by admin on Fri Dec 15 15:48:08 UTC 2023 , Edited by admin on Fri Dec 15 15:48:08 UTC 2023
PRIMARY
SMS_ID
100000087295
Created by admin on Fri Dec 15 15:48:08 UTC 2023 , Edited by admin on Fri Dec 15 15:48:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID10215320
Created by admin on Fri Dec 15 15:48:08 UTC 2023 , Edited by admin on Fri Dec 15 15:48:08 UTC 2023
PRIMARY
ChEMBL
CHEMBL456
Created by admin on Fri Dec 15 15:48:08 UTC 2023 , Edited by admin on Fri Dec 15 15:48:08 UTC 2023
PRIMARY
EVMPD
SUB01978MIG
Created by admin on Fri Dec 15 15:48:08 UTC 2023 , Edited by admin on Fri Dec 15 15:48:08 UTC 2023
PRIMARY
RXCUI
4108
Created by admin on Fri Dec 15 15:48:08 UTC 2023 , Edited by admin on Fri Dec 15 15:48:08 UTC 2023
PRIMARY RxNorm
DAILYMED
K41MYV7MPM
Created by admin on Fri Dec 15 15:48:08 UTC 2023 , Edited by admin on Fri Dec 15 15:48:08 UTC 2023
PRIMARY
EVMPD
SUB193938
Created by admin on Fri Dec 15 15:48:08 UTC 2023 , Edited by admin on Fri Dec 15 15:48:08 UTC 2023
ALTERNATIVE
DRUG BANK
DBSALT001225
Created by admin on Fri Dec 15 15:48:08 UTC 2023 , Edited by admin on Fri Dec 15 15:48:08 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY