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Details

Stereochemistry ACHIRAL
Molecular Formula C12H11I3N2O4
Molecular Weight 627.9402
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METRIZOIC ACID

SMILES

CN(C(C)=O)C1=C(I)C(NC(C)=O)=C(I)C(C(O)=O)=C1I

InChI

InChIKey=GGGDNPWHMNJRFN-UHFFFAOYSA-N
InChI=1S/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)

HIDE SMILES / InChI
Molecular Formula C12H11I3N2O4
Molecular Weight 627.9402
Charge 0
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 14:58:55 UTC 2023
Edited
by admin
on Fri Dec 15 14:58:55 UTC 2023
Record UNII
CM1N99QR1M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METRIZOIC ACID
MART.   MI   ORANGE BOOK   WHO-DD  
Common Name English
Metrizoic acid [WHO-DD]
Common Name English
BENZOIC ACID, 3-(ACETYLAMINO)-5-(ACETYLMETHYLAMINO)-2,4,6-TRIIODO-
Common Name English
3-ACETAMIDO-2,4,6-TRI-IODO-5-(N-METHYLACETAMIDO)BENZOIC ACID
Systematic Name English
METRIZOIC ACID [JAN]
Common Name English
METRIZOIC ACID [MART.]
Common Name English
METRIZOIC ACID [MI]
Common Name English
V08AA02
Code English
METRIZOIC ACID [ORANGE BOOK]
Common Name English
Classification Tree Code System Code
NDF-RT N0000010258
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
WHO-ATC V08AA02
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
NDF-RT N0000180185
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
WHO-VATC QV08AA02
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
NCI_THESAURUS C390
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
Code System Code Type Description
DRUG BANK
DB09346
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
PRIMARY
SMS_ID
100000085979
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
PRIMARY
EPA CompTox
DTXSID6023311
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
PRIMARY
ECHA (EC/EINECS)
217-761-1
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
PRIMARY
NCI_THESAURUS
C76635
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
PRIMARY
DRUG CENTRAL
1789
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
PRIMARY
CHEBI
34847
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
PRIMARY
ChEMBL
CHEMBL1736
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
PRIMARY
CAS
1949-45-7
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
PRIMARY
MERCK INDEX
m7505
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
PRIMARY Merck Index
PUBCHEM
2528
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
PRIMARY
WIKIPEDIA
Metrizoic acid
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
PRIMARY
EVMPD
SUB03276MIG
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
PRIMARY
FDA UNII
CM1N99QR1M
Created by admin on Fri Dec 15 14:58:55 UTC 2023 , Edited by admin on Fri Dec 15 14:58:55 UTC 2023
PRIMARY
Related Record Type Details
Structure of METRIZOATE CALCIUM
SALT/SOLVATE -> PARENT
Structure of METRIZOATE MEGLUMINE
SALT/SOLVATE -> PARENT
Structure of METRIZOATE SODIUM
SALT/SOLVATE -> PARENT
Structure of METRIZOATE MAGNESIUM
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of METRIZOIC ACID
ACTIVE MOIETY
NIH
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