[(2S)-1-[3-Carbonochloridoyl-5-(1,3-dihydroxypropan-2-ylcarbamoyl)-2,4,6-triiodoanilino]-1-oxopropan-2-yl] acetate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H16ClI3N2O7
Molecular Weight	764.474
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of [(2S)-1-[3-Carbonochloridoyl-5-(1,3-dihydroxypropan-2-ylcarbamoyl)-2,4,6-triiodoanilino]-1-oxopropan-2-yl] acetate

Structure Search

SMILES

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

InChI

InChIKey=XWWUWJDLBWHEQH-YFKPBYRVSA-N

InChI=1S/C16H16ClI3N2O7/c1-5(29-6(2)25)15(27)22-13-11(19)8(14(17)26)10(18)9(12(13)20)16(28)21-7(3-23)4-24/h5,7,23-24H,3-4H2,1-2H3,(H,21,28)(H,22,27)/t5-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H16ClI3N2O7
Molecular Weight	764.474
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 19:16:38 GMT 2025` Edited by `admin` on `Wed Apr 02 19:16:38 GMT 2025`
Record UNII	NP25H65ACX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

[(2S)-1-[3-Carbonochloridoyl-5-(1,3-dihydroxypropan-2-ylcarbamoyl)-2,4,6-triiodoanilino]-1-oxopropan-2-yl] acetate

Systematic Name

English

Benzoyl chloride, 3-[[2-(acetyloxy)-1-oxopropyl]amino]-5-[[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]carbonyl]-2,4,6-triiodo-, (S)-

Preferred Name

English

Code System Code Type Description

FDA UNII

NP25H65ACX

Created by admin on Wed Apr 02 19:16:38 GMT 2025 , Edited by admin on Wed Apr 02 19:16:38 GMT 2025

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PUBCHEM

54492727

Created by admin on Wed Apr 02 19:16:38 GMT 2025 , Edited by admin on Wed Apr 02 19:16:38 GMT 2025

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CAS

143199-86-4

Created by admin on Wed Apr 02 19:16:38 GMT 2025 , Edited by admin on Wed Apr 02 19:16:38 GMT 2025

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