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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9O6.Na
Molecular Weight 272.186
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM METHYLESCULETIN ACETATE

SMILES

[Na+].CC1=CC(=O)OC2=CC(OCC([O-])=O)=C(O)C=C12

InChI

InChIKey=CIVAPWNSKCJJEE-UHFFFAOYSA-M
InChI=1S/C12H10O6.Na/c1-6-2-12(16)18-9-4-10(17-5-11(14)15)8(13)3-7(6)9;/h2-4,13H,5H2,1H3,(H,14,15);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C12H9O6
Molecular Weight 249.1963
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:39:38 GMT 2023
Edited
by admin
on Sat Dec 16 01:39:38 GMT 2023
Record UNII
HGU5120054
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM METHYLESCULETIN ACETATE
INCI  
INCI  
Official Name English
ACETIC ACID, ((6-HYDROXY-4-METHYL-2-OXO-2H-1-BENZOPYRAN-7-YL)OXY)-, MONOSODIUM SALT
Common Name English
SODIUM METHYLESCULETIN ACETATE [INCI]
Common Name English
SODIUM ((6-HYDROXY-4-METHYL-2-OXO-2H-1-BENZOPYRAN-7-YL)OXY)ACETATE
Systematic Name English
ACETIC ACID, 2-((6-HYDROXY-4-METHYL-2-OXO-2H-1-BENZOPYRAN-7-YL)OXY)-, SODIUM SALT (1:1)
Common Name English
PERMETHOL
Brand Name English
Code System Code Type Description
PUBCHEM
23704348
Created by admin on Sat Dec 16 01:39:38 GMT 2023 , Edited by admin on Sat Dec 16 01:39:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID80242002
Created by admin on Sat Dec 16 01:39:38 GMT 2023 , Edited by admin on Sat Dec 16 01:39:38 GMT 2023
PRIMARY
ECHA (EC/EINECS)
306-060-7
Created by admin on Sat Dec 16 01:39:38 GMT 2023 , Edited by admin on Sat Dec 16 01:39:38 GMT 2023
PRIMARY
RXCUI
1426627
Created by admin on Sat Dec 16 01:39:38 GMT 2023 , Edited by admin on Sat Dec 16 01:39:38 GMT 2023
PRIMARY RxNorm
MESH
C073110
Created by admin on Sat Dec 16 01:39:38 GMT 2023 , Edited by admin on Sat Dec 16 01:39:38 GMT 2023
PRIMARY
FDA UNII
HGU5120054
Created by admin on Sat Dec 16 01:39:38 GMT 2023 , Edited by admin on Sat Dec 16 01:39:38 GMT 2023
PRIMARY
SMS_ID
100000176160
Created by admin on Sat Dec 16 01:39:38 GMT 2023 , Edited by admin on Sat Dec 16 01:39:38 GMT 2023
PRIMARY
CAS
95873-69-1
Created by admin on Sat Dec 16 01:39:38 GMT 2023 , Edited by admin on Sat Dec 16 01:39:38 GMT 2023
PRIMARY