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Details

Stereochemistry ACHIRAL
Molecular Formula C36H31I9N8O12
Molecular Weight 1909.818
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[[[[3-[[[[3-(Acetylmethylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]acetyl]amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid

SMILES

CNC(=O)C1=C(I)C(C(=O)NCC(=O)NC2=C(I)C(C(=O)NCC(=O)NC3=C(I)C(C(=O)NCCO)=C(I)C(C(O)=O)=C3I)=C(I)C(C(=O)NCCO)=C2I)=C(I)C(N(C)C(C)=O)=C1I

InChI

InChIKey=BIAKJIZYMJCEHV-UHFFFAOYSA-N
InChI=1S/C36H31I9N8O12/c1-10(56)53(3)30-26(44)16(31(59)46-2)20(38)17(27(30)45)35(63)50-9-11(57)51-28-22(40)13(32(60)47-4-6-54)19(37)14(23(28)41)34(62)49-8-12(58)52-29-24(42)15(33(61)48-5-7-55)21(39)18(25(29)43)36(64)65/h54-55H,4-9H2,1-3H3,(H,46,59)(H,47,60)(H,48,61)(H,49,62)(H,50,63)(H,51,57)(H,52,58)(H,64,65)

HIDE SMILES / InChI

Molecular Formula C36H31I9N8O12
Molecular Weight 1909.818
Charge 0
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 18:44:23 GMT 2023
Edited
by admin
on Sat Dec 16 18:44:23 GMT 2023
Record UNII
63UF2TJ4TT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[[[[3-[[[[3-(Acetylmethylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoyl]amino]acetyl]amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid
Systematic Name English
IOXAGLIC ACID IMPURITY E [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
63UF2TJ4TT
Created by admin on Sat Dec 16 18:44:24 GMT 2023 , Edited by admin on Sat Dec 16 18:44:24 GMT 2023
PRIMARY
PUBCHEM
166177208
Created by admin on Sat Dec 16 18:44:24 GMT 2023 , Edited by admin on Sat Dec 16 18:44:24 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP