5-[[(2S)-2-(Acetyloxy)-1-oxopropyl]amino]-N1-(2-hydroxyethyl)-N3-[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-1,3-benzenedicarboxamide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H22I3N3O8
Molecular Weight	789.096
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-[[(2S)-2-(Acetyloxy)-1-oxopropyl]amino]-N1-(2-hydroxyethyl)-N3-[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-1,3-benzenedicarboxamide

Structure Search

SMILES

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

InChI

InChIKey=KVNYDLSAIJATSV-ZETCQYMHSA-N

InChI=1S/C18H22I3N3O8/c1-7(32-8(2)28)16(29)24-15-13(20)10(17(30)22-3-4-25)12(19)11(14(15)21)18(31)23-9(5-26)6-27/h7,9,25-27H,3-6H2,1-2H3,(H,22,30)(H,23,31)(H,24,29)/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H22I3N3O8
Molecular Weight	789.096
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 `Wed Apr 02 19:13:54 GMT 2025` Edited by `admin` on `Wed Apr 02 19:13:54 GMT 2025`
Record UNII	WSF4QZ58Y7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-Benzenedicarboxamide, 5-[[(2S)-2-(acetyloxy)-1-oxopropyl]amino]-N1-(2-hydroxyethyl)-N3-[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-

Preferred Name

English

5-[[(2S)-2-(Acetyloxy)-1-oxopropyl]amino]-N1-(2-hydroxyethyl)-N3-[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-1,3-benzenedicarboxamide

Systematic Name

English

Code System Code Type Description

FDA UNII

WSF4QZ58Y7

Created by admin on Wed Apr 02 19:13:54 GMT 2025 , Edited by admin on Wed Apr 02 19:13:54 GMT 2025

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CAS

1869069-78-2

Created by admin on Wed Apr 02 19:13:54 GMT 2025 , Edited by admin on Wed Apr 02 19:13:54 GMT 2025

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