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

Details

Stereochemistry UNKNOWN
Molecular Formula C19H22N2O4
Molecular Weight 342.389
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDRODOLASETRON N-OXIDE

SMILES

[H][C@@]12C[C@@]3([H])C[C@@H](C[C@]([H])(C1)[N+]3([O-])CC2O)OC(=O)C4=CNC5=C4C=CC=C5

InChI

InChIKey=HISIYQCTEKKZGZ-FKUHOHFDSA-N
InChI=1S/C19H22N2O4/c22-18-10-21(24)12-5-11(18)6-13(21)8-14(7-12)25-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,18,20,22H,5-8,10H2/t11-,12-,13+,14+,18?,21?

HIDE SMILES / InChI

Molecular Formula C19H22N2O4
Molecular Weight 342.389
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:40:44 GMT 2023
Edited
by admin
on Sat Dec 16 09:40:44 GMT 2023
Record UNII
LA576DJQ76
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYDRODOLASETRON N-OXIDE
Common Name English
Code System Code Type Description
FDA UNII
LA576DJQ76
Created by admin on Sat Dec 16 09:40:44 GMT 2023 , Edited by admin on Sat Dec 16 09:40:44 GMT 2023
PRIMARY
CAS
168560-03-0
Created by admin on Sat Dec 16 09:40:44 GMT 2023 , Edited by admin on Sat Dec 16 09:40:44 GMT 2023
PRIMARY
PUBCHEM
91810625
Created by admin on Sat Dec 16 09:40:44 GMT 2023 , Edited by admin on Sat Dec 16 09:40:44 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR
URINE