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Details

Stereochemistry MIXED
Molecular Formula C35H43I5N6O15
Molecular Weight 1422.2695
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-ACETYL-2-((ACETYL(3,5-BIS(((2,3-DIHYDROXYPROPYL)AMINO)CARBONYL)-2,4,6-TRIIODOPHENYL)AMINO)METHYL)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,3-DIHYDRO-5,7-DIIODO-4H-1,4-BENZOXAZINE-6,8-DICARBOXAMIDE

SMILES

CC(=O)N(CC1CN(C(C)=O)C2=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C2O1)C3=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C3I

InChI

InChIKey=IOCIQOIPCBOEJB-UHFFFAOYSA-N
InChI=1S/C35H43I5N6O15/c1-13(51)45(29-26(38)20(32(57)41-3-15(53)9-47)24(36)21(27(29)39)33(58)42-4-16(54)10-48)7-19-8-46(14(2)52)30-28(40)22(34(59)43-5-17(55)11-49)25(37)23(31(30)61-19)35(60)44-6-18(56)12-50/h15-19,47-50,53-56H,3-12H2,1-2H3,(H,41,57)(H,42,58)(H,43,59)(H,44,60)

HIDE SMILES / InChI

Molecular Formula C35H43I5N6O15
Molecular Weight 1422.2695
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:00:57 GMT 2023
Edited
by admin
on Sat Dec 16 08:00:57 GMT 2023
Record UNII
TVN2A2DN5U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-ACETYL-2-((ACETYL(3,5-BIS(((2,3-DIHYDROXYPROPYL)AMINO)CARBONYL)-2,4,6-TRIIODOPHENYL)AMINO)METHYL)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,3-DIHYDRO-5,7-DIIODO-4H-1,4-BENZOXAZINE-6,8-DICARBOXAMIDE
Common Name English
IODIXANOL RELATED COMPOUND G [USP IMPURITY]
Common Name English
IODIXANOL IMPURITY G [EP IMPURITY]
Common Name English
2H-1,4-BENZOXAZINE-6,8-DICARBOXAMIDE, 4-ACETYL-2-((ACETYL(3,5-BIS(((2,3-DIHYDROXYPROPYL)AMINO)CARBONYL)-2,4,6-TRIIODOPHENYL)AMINO)METHYL)-N6,N8-BIS(2,3-DIHYDROXYPROPYL)-3,4-DIHYDRO-5,7-DIIODO-
Systematic Name English
IODIXANOL RELATED COMPOUND G
USP  
Common Name English
Code System Code Type Description
FDA UNII
TVN2A2DN5U
Created by admin on Sat Dec 16 08:00:57 GMT 2023 , Edited by admin on Sat Dec 16 08:00:57 GMT 2023
PRIMARY
CAS
171897-72-6
Created by admin on Sat Dec 16 08:00:57 GMT 2023 , Edited by admin on Sat Dec 16 08:00:57 GMT 2023
PRIMARY
PUBCHEM
15230867
Created by admin on Sat Dec 16 08:00:57 GMT 2023 , Edited by admin on Sat Dec 16 08:00:57 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP