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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9HgO2S.Na
Molecular Weight 404.81
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIMEROSAL

SMILES

[Na+].CC[Hg]SC1=C(C=CC=C1)C([O-])=O

InChI

InChIKey=RTKIYNMVFMVABJ-UHFFFAOYSA-L
InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2

HIDE SMILES / InChI
Molecular Formula C9H9HgO2S
Molecular Weight 381.82
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

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:20:01 UTC 2023
Edited
by admin
on Fri Dec 15 16:20:01 UTC 2023
Record UNII
2225PI3MOV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIMEROSAL
HSDB   II   INCI   JAN   MI   USP   USP-RS   VANDF  
INCI  
Official Name English
THIMEROSAL [JAN]
Common Name English
thiomersal [INN]
Common Name English
SODIUM ETHYL(2-(MERCAPTO-.KAPPA.S)BENZOATO(2-)-.KAPPA.O)MERCURATE(1-)
Common Name English
THIOMERSAL
EP   INN   MART.   WHO-DD  
INN  
Official Name English
THIMEROSAL [HSDB]
Common Name English
THIMEROSAL [USP-RS]
Common Name English
THIMEROSAL [VANDF]
Common Name English
Thiomersal [WHO-DD]
Common Name English
THIMEROSAL [USP MONOGRAPH]
Common Name English
THIMEROSAL [MI]
Common Name English
MERTHIOLATE
Brand Name English
THIOMERSAL [MART.]
Common Name English
THIMEROSAL [INCI]
Common Name English
THIOMERSAL [EP MONOGRAPH]
Common Name English
NSC-4794
Code English
SODIUM SALT OF (2-CARBOXYPHENYLTHIO)ETHYLMERCURY
Common Name English
THIMEROSAL [II]
Common Name English
Ethyl (sodium O-mercaptobenzoato)mercury
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C28394
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
NDF-RT N0000185508
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
WHO-ATC D08AK06
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
WHO-VATC QD08AK06
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
EPA PESTICIDE CODE 78901
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
Code System Code Type Description
PUBCHEM
5908
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
WIKIPEDIA
THIOMERSAL
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
EPA CompTox
DTXSID3025540
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
EVMPD
SUB20886
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
ALTERNATIVE
MERCK INDEX
m10740
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY Merck Index
ALANWOOD
thiomersal
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
FDA UNII
2225PI3MOV
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
DRUG CENTRAL
4733
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
ECHA (EC/EINECS)
200-210-4
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
RXCUI
10472
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY RxNorm
DRUG BANK
DB11590
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
DAILYMED
2225PI3MOV
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
NDF-RT
N0000175629
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY Increased Histamine Release [PE]
NCI_THESAURUS
C47751
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
NDF-RT
N0000171131
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY Allergens [Chemical/Ingredient]
EVMPD
SUB10980MIG
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
CONCEPT Industrial Aid
CAS
54-64-8
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
HSDB
7151
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
SMS_ID
100000092521
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
CHEBI
9546
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
MESH
D013849
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
NSC
4794
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
INN
2548
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
NDF-RT
N0000184306
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY Cell-mediated Immunity [PE]
RS_ITEM_NUM
1659000
Created by admin on Fri Dec 15 16:20:01 UTC 2023 , Edited by admin on Fri Dec 15 16:20:01 UTC 2023
PRIMARY
Related Record Type Details
Structure of ETHYLMERCURITHIOSALICYLIC ACID
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of 2,2'-DITHIODIBENZOIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of THIOSALICYLIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Related Record Type Details
Structure of ETHYLMERCURITHIOSALICYLIC ACID
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