U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry MIXED
Molecular Formula C14H19N3O8
Molecular Weight 357.316
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N'-BIS(2,3-DIHYDROXYPROPYL)-5-NITRO-ISOPHTHALAMIDE

SMILES

OCC(O)CNC(=O)C1=CC(=CC(=C1)C(=O)NCC(O)CO)[N+]([O-])=O

InChI

InChIKey=LJEBHEAPZMNBSI-UHFFFAOYSA-N
InChI=1S/C14H19N3O8/c18-6-11(20)4-15-13(22)8-1-9(3-10(2-8)17(24)25)14(23)16-5-12(21)7-19/h1-3,11-12,18-21H,4-7H2,(H,15,22)(H,16,23)

HIDE SMILES / InChI

Molecular Formula C14H19N3O8
Molecular Weight 357.316
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 Fri Dec 15 15:47:51 GMT 2023
Edited
by admin
on Fri Dec 15 15:47:51 GMT 2023
Record UNII
R5E9U49190
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N'-BIS(2,3-DIHYDROXYPROPYL)-5-NITRO-ISOPHTHALAMIDE
Systematic Name English
1,3-BENZENEDICARBOXAMIDE, N1,N3-BIS(2,3-DIHYDROXYPROPYL)-5-NITRO-
Systematic Name English
IOHEXOL RELATED COMPOUND C
USP  
Common Name English
N,N'-BIS(2,3-DIHYDROXYPROPYL)-5-NITRO-1,3-BENZENEDICARBOXAMIDE
Systematic Name English
IOHEXOL RELATED COMPOUND C [USP-RS]
Common Name English
IOHEXOL RELATED COMPOUND C [USP IMPURITY]
Common Name English
(±)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-5-NITRO-1,3-BENZENEDICARBOXAMIDE
Systematic Name English
Code System Code Type Description
CAS
76820-34-3
Created by admin on Fri Dec 15 15:47:51 GMT 2023 , Edited by admin on Fri Dec 15 15:47:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID101175944
Created by admin on Fri Dec 15 15:47:51 GMT 2023 , Edited by admin on Fri Dec 15 15:47:51 GMT 2023
PRIMARY
PUBCHEM
11783255
Created by admin on Fri Dec 15 15:47:51 GMT 2023 , Edited by admin on Fri Dec 15 15:47:51 GMT 2023
PRIMARY
FDA UNII
R5E9U49190
Created by admin on Fri Dec 15 15:47:51 GMT 2023 , Edited by admin on Fri Dec 15 15:47:51 GMT 2023
PRIMARY
RS_ITEM_NUM
1344666
Created by admin on Fri Dec 15 15:47:51 GMT 2023 , Edited by admin on Fri Dec 15 15:47:51 GMT 2023
PRIMARY