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Details

Stereochemistry RACEMIC
Molecular Formula C14H18I3N3O6
Molecular Weight 705.0226
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-AMINO-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOBENZENE-1,3-DICARBOXAMIDE

SMILES

NC1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I

InChI

InChIKey=KAEGSAWWVYMWIQ-UHFFFAOYSA-N
InChI=1S/C14H18I3N3O6/c15-9-7(13(25)19-1-5(23)3-21)10(16)12(18)11(17)8(9)14(26)20-2-6(24)4-22/h5-6,21-24H,1-4,18H2,(H,19,25)(H,20,26)

HIDE SMILES / InChI

Molecular Formula C14H18I3N3O6
Molecular Weight 705.0226
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:03:18 GMT 2023
Edited
by admin
on Sat Dec 16 10:03:18 GMT 2023
Record UNII
5046WWA5VH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-AMINO-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOBENZENE-1,3-DICARBOXAMIDE
Systematic Name English
3,5-BIS(2,3-DIHYDROXYPROPYLAMINOCARBONYL)-2,4,6-TRIIODOANILINE
Systematic Name English
(±)-5-AMINO-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODOBENZENE-1,3-DICARBOXAMIDE
Systematic Name English
IOVERSOL RELATED COMPOUND A [USP IMPURITY]
Common Name English
1,3-BENZENEDICARBOXAMIDE, 5-AMINO-N1,N3-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODO-
Systematic Name English
IOVERSOL RELATED COMPOUND A [USP-RS]
Common Name English
5-AMINO-2,4,6-TRIIODO-N,N'-BIS(2,3-DIHYDROXYPROPYL)ISOPHTHALAMIDE
Systematic Name English
IOHEXOL RELATED COMPOUND B [USP-RS]
Common Name English
IOHEXOL IMPURITY J [EP IMPURITY]
Common Name English
IOHEXOL RELATED COMPOUND B [USP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
10395011
Created by admin on Sat Dec 16 10:03:18 GMT 2023 , Edited by admin on Sat Dec 16 10:03:18 GMT 2023
PRIMARY
RS_ITEM_NUM
1344644
Created by admin on Sat Dec 16 10:03:18 GMT 2023 , Edited by admin on Sat Dec 16 10:03:18 GMT 2023
ALTERNATIVE
RS_ITEM_NUM
1345115
Created by admin on Sat Dec 16 10:03:18 GMT 2023 , Edited by admin on Sat Dec 16 10:03:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID90998124
Created by admin on Sat Dec 16 10:03:18 GMT 2023 , Edited by admin on Sat Dec 16 10:03:18 GMT 2023
PRIMARY
CAS
76801-93-9
Created by admin on Sat Dec 16 10:03:18 GMT 2023 , Edited by admin on Sat Dec 16 10:03:18 GMT 2023
PRIMARY
FDA UNII
5046WWA5VH
Created by admin on Sat Dec 16 10:03:18 GMT 2023 , Edited by admin on Sat Dec 16 10:03:18 GMT 2023
PRIMARY
Related Record Type Details
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PARENT -> IMPURITY