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

Details

Stereochemistry ABSOLUTE
Molecular Formula C8H19NO5.C7H3IN2O3
Molecular Weight 499.255
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NITROXINIL EGLUMINE

SMILES

OC1=C(C=C(C=C1I)C#N)[N+]([O-])=O.CCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

InChI

InChIKey=NIVIZBHSVXAGNW-ANJNCBFHSA-N
InChI=1S/C8H19NO5.C7H3IN2O3/c1-2-9-3-5(11)7(13)8(14)6(12)4-10;8-5-1-4(3-9)2-6(7(5)11)10(12)13/h5-14H,2-4H2,1H3;1-2,11H/t5-,6+,7+,8+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C8H19NO5
Molecular Weight 209.2402
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C7H3IN2O3
Molecular Weight 290.0148
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:40:06 GMT 2023
Edited
by admin
on Fri Dec 15 19:40:06 GMT 2023
Record UNII
TF9AXW67XU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NITROXINIL EGLUMINE
Common Name English
GLUCITOL, 1-DEOXY-1-(ETHYLAMINO)-, COMPD. WITH 4-HYDROXY-3-IODO-5-NITROBENZONITRILE (1:1), D-
Common Name English
NITROXYNIL N-ETHYLGLUCAMINE [MI]
Common Name English
DOVENIX
Common Name English
NITROXYNIL EGLUMINE
Common Name English
TRODAX
Brand Name English
BENZONITRILE, 4-HYDROXY-3-IODO-5-NITRO-, COMPD. WITH 1-DEOXY-1-(ETHYLAMINO)-D-GLUCITOL (1:1)
Common Name English
4-CYANO-2-IODO-6-NITROPHENOL EGLUMINE SALT
Common Name English
D-GLUCITOL, 1-DEOXY-1-(ETHYLAMINO)-, COMPD. WITH 4-HYDROXY-3-IODO-5-NITROBENZONITRILE (1:1)
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70950588
Created by admin on Fri Dec 15 19:40:07 GMT 2023 , Edited by admin on Fri Dec 15 19:40:07 GMT 2023
PRIMARY
FDA UNII
TF9AXW67XU
Created by admin on Fri Dec 15 19:40:07 GMT 2023 , Edited by admin on Fri Dec 15 19:40:07 GMT 2023
PRIMARY
ECHA (EC/EINECS)
248-726-9
Created by admin on Fri Dec 15 19:40:07 GMT 2023 , Edited by admin on Fri Dec 15 19:40:07 GMT 2023
PRIMARY
SMS_ID
300000023740
Created by admin on Fri Dec 15 19:40:07 GMT 2023 , Edited by admin on Fri Dec 15 19:40:07 GMT 2023
PRIMARY
CAS
27917-82-4
Created by admin on Fri Dec 15 19:40:07 GMT 2023 , Edited by admin on Fri Dec 15 19:40:07 GMT 2023
PRIMARY
PUBCHEM
161586
Created by admin on Fri Dec 15 19:40:07 GMT 2023 , Edited by admin on Fri Dec 15 19:40:07 GMT 2023
PRIMARY
MERCK INDEX
m8013
Created by admin on Fri Dec 15 19:40:07 GMT 2023 , Edited by admin on Fri Dec 15 19:40:07 GMT 2023
PRIMARY Merck Index
Related Record Type Details
PARENT -> SALT/SOLVATE