PENTAACETYLIOPAMIDOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H32I3N3O13
Molecular Weight	987.2687
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=HTWGNAGGXTUGOV-NSHDSACASA-N

InChI=1S/C27H32I3N3O13/c1-11(46-16(6)38)25(39)33-24-22(29)19(26(40)31-17(7-42-12(2)34)8-43-13(3)35)21(28)20(23(24)30)27(41)32-18(9-44-14(4)36)10-45-15(5)37/h11,17-18H,7-10H2,1-6H3,(H,31,40)(H,32,41)(H,33,39)/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H32I3N3O13
Molecular Weight	987.2687
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 `Fri Dec 15 15:47:38 GMT 2023` Edited by `admin` on `Fri Dec 15 15:47:38 GMT 2023`
Record UNII	4MDKPPA18K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENTAACETYLIOPAMIDOL

Common Name

English

1,3-BENZENEDICARBOXAMIDE, N1,N3-BIS(2-(ACETYLOXY)-1-((ACETYLOXY)METHYL)ETHYL)-5-(((2S)-2-(ACETYLOXY)-1-OXOPROPYL)AMINO)-2,4,6-TRIIODO-

Systematic Name

English

1,3-BENZENEDICARBOXAMIDE, N,N'-BIS(2-(ACETYLOXY)-1-((ACETYLOXY)METHYL)ETHYL)-5-(((2S)-2-(ACETYLOXY)-1-OXOPROPYL)AMINO)-2,4,6-TRIIODO-

Systematic Name

English

Code System Code Type Description

CAS

289890-55-7

Created by admin on Fri Dec 15 15:47:38 GMT 2023 , Edited by admin on Fri Dec 15 15:47:38 GMT 2023

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FDA UNII

4MDKPPA18K

Created by admin on Fri Dec 15 15:47:38 GMT 2023 , Edited by admin on Fri Dec 15 15:47:38 GMT 2023

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EPA CompTox

DTXSID20460400

Created by admin on Fri Dec 15 15:47:38 GMT 2023 , Edited by admin on Fri Dec 15 15:47:38 GMT 2023

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PUBCHEM

11263180

Created by admin on Fri Dec 15 15:47:38 GMT 2023 , Edited by admin on Fri Dec 15 15:47:38 GMT 2023

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