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Details

Stereochemistry MIXED
Molecular Formula C17H23I2N3O8
Molecular Weight 651.1888
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

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

SMILES

OCC(O)CNC(=O)C1=C(I)C(C(=O)NCC(O)CO)=C2OC(CO)CNC2=C1I

InChI

InChIKey=FAZGRQCNBKWPQQ-UHFFFAOYSA-N
InChI=1S/C17H23I2N3O8/c18-12-10(16(28)21-1-7(26)4-23)13(19)14-15(30-9(6-25)3-20-14)11(12)17(29)22-2-8(27)5-24/h7-9,20,23-27H,1-6H2,(H,21,28)(H,22,29)

HIDE SMILES / InChI

Molecular Formula C17H23I2N3O8
Molecular Weight 651.1888
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 3
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
Y2Z89O65DS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N'-BIS(2,3-DIHYDROXYPROPYL)-2-(HYDROXYMETHYL)-5,7-DIIODO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6,8-DICARBOXAMIDE
Systematic Name English
IOHEXOL IMPURITY I [EP IMPURITY]
Common Name English
(±)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2-(HYDROXYMETHYL)-5,7-DIIODO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6,8-DICARBOXAMIDE
Systematic Name English
2H-1,4-BENZOXAZINE-6,8-DICARBOXAMIDE, N6,N8-BIS(2,3-DIHYDROXYPROPYL)-3,4-DIHYDRO-2-(HYDROXYMETHYL)-5,7-DIIODO-
Systematic Name English
Code System Code Type Description
CAS
196309-19-0
Created by admin on Sat Dec 16 10:03:18 GMT 2023 , Edited by admin on Sat Dec 16 10:03:18 GMT 2023
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FDA UNII
Y2Z89O65DS
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
PUBCHEM
71587618
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