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Details

Stereochemistry ACHIRAL
Molecular Formula C24H22I5N5O8
Molecular Weight 1142.9825
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[[[[3-(Acetylmethylamino)-2,6-diiodo-5-(methylcarbamoyl)benzoyl]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)=O)=C(I)C(C(=O)NCCO)=C2I)=C(I)C(=C1)N(C)C(C)=O

InChI

InChIKey=JDMXVFWBBULVAB-UHFFFAOYSA-N
InChI=1S/C24H22I5N5O8/c1-8(36)34(3)10-6-9(21(38)30-2)15(25)12(16(10)26)23(40)32-7-11(37)33-20-18(28)13(22(39)31-4-5-35)17(27)14(19(20)29)24(41)42/h6,35H,4-5,7H2,1-3H3,(H,30,38)(H,31,39)(H,32,40)(H,33,37)(H,41,42)

HIDE SMILES / InChI

Molecular Formula C24H22I5N5O8
Molecular Weight 1142.9825
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
TK97ZSN5NZ
Record Status Validated (UNII)
Record Version