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Details

Stereochemistry UNKNOWN
Molecular Formula C14H20N4O.H2O4S
Molecular Weight 358.413
Optical Activity ( + )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IROXANADINE SULFATE, (+)-

SMILES

OS(O)(=O)=O.C(C1CONC(=N1)C2=CC=CN=C2)N3CCCCC3

InChI

InChIKey=KRDJXQILWJDTAQ-UHFFFAOYSA-N
InChI=1S/C14H20N4O.H2O4S/c1-2-7-18(8-3-1)10-13-11-19-17-14(16-13)12-5-4-6-15-9-12;1-5(2,3)4/h4-6,9,13H,1-3,7-8,10-11H2,(H,16,17);(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula C14H20N4O
Molecular Weight 260.3348
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula H2O4S
Molecular Weight 98.078
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 Sat Dec 16 08:47:18 UTC 2023
Edited
by admin
on Sat Dec 16 08:47:18 UTC 2023
Record UNII
68GK9A9U66
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IROXANADINE SULFATE, (+)-
Common Name English
2H-1,2,4-OXADIAZINE, 5,6-DIHYDRO-5-(1-PIPERIDINYLMETHYL)-3-(3-PYRIDINYL)-, (+)-, SULFATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
934838-75-2
Created by admin on Sat Dec 16 08:47:18 UTC 2023 , Edited by admin on Sat Dec 16 08:47:18 UTC 2023
PRIMARY
FDA UNII
68GK9A9U66
Created by admin on Sat Dec 16 08:47:18 UTC 2023 , Edited by admin on Sat Dec 16 08:47:18 UTC 2023
PRIMARY
PUBCHEM
22466418
Created by admin on Sat Dec 16 08:47:18 UTC 2023 , Edited by admin on Sat Dec 16 08:47:18 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
RACEMATE -> ENANTIOMER