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Details

Stereochemistry ACHIRAL
Molecular Formula C16H17I3N2O8
Molecular Weight 746.0282
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IOPAMIDOL MONOCARBOXYLIC ACID MONO ACETATE

SMILES

C[C@H](OC(C)=O)C(=O)NC1=C(I)C(C(=O)NC(CO)CO)=C(I)C(C(O)=O)=C1I

InChI

InChIKey=APIQONDNHHPMFU-YFKPBYRVSA-N
InChI=1S/C16H17I3N2O8/c1-5(29-6(2)24)14(25)21-13-11(18)8(15(26)20-7(3-22)4-23)10(17)9(12(13)19)16(27)28/h5,7,22-23H,3-4H2,1-2H3,(H,20,26)(H,21,25)(H,27,28)/t5-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H17I3N2O8
Molecular Weight 746.0282
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:37:44 GMT 2023
Edited
by admin
on Sat Dec 16 10:37:44 GMT 2023
Record UNII
TSW898D5WK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IOPAMIDOL MONOCARBOXYLIC ACID MONO ACETATE
Common Name English
BENZOIC ACID, 3-(((2S)-2-(ACETYLOXY)-1-OXOPROPYL)AMINO)-5-(((2-HYDROXY-1-(HYDROXYMETHYL)ETHYL)AMINO)CARBONYL)-2,4,6-TRIIODO-
Systematic Name English
Code System Code Type Description
CAS
1869069-75-9
Created by admin on Sat Dec 16 10:37:44 GMT 2023 , Edited by admin on Sat Dec 16 10:37:44 GMT 2023
PRIMARY
FDA UNII
TSW898D5WK
Created by admin on Sat Dec 16 10:37:44 GMT 2023 , Edited by admin on Sat Dec 16 10:37:44 GMT 2023
PRIMARY
PUBCHEM
135390809
Created by admin on Sat Dec 16 10:37:44 GMT 2023 , Edited by admin on Sat Dec 16 10:37:44 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY