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Details

Stereochemistry RACEMIC
Molecular Formula C23H31N3O4
Molecular Weight 413.5099
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DESMETHYL RANOLAZINE

SMILES

CC1=CC=CC(C)=C1NC(=O)CN2CCN(CC(O)COC3=C(O)C=CC=C3)CC2

InChI

InChIKey=JQTKNELUBGGUKI-UHFFFAOYSA-N
InChI=1S/C23H31N3O4/c1-17-6-5-7-18(2)23(17)24-22(29)15-26-12-10-25(11-13-26)14-19(27)16-30-21-9-4-3-8-20(21)28/h3-9,19,27-28H,10-16H2,1-2H3,(H,24,29)

HIDE SMILES / InChI

Molecular Formula C23H31N3O4
Molecular Weight 413.5099
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:44:55 GMT 2023
Edited
by admin
on Sat Dec 16 09:44:55 GMT 2023
Record UNII
0G2S752Q5J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DESMETHYL RANOLAZINE
Common Name English
RS-88390
Code English
CVT-2514
Code English
1-PIPERAZINEACETAMIDE, N-(2,6-DIMETHYLPHENYL)-4-(2-HYDROXY-3-(2-HYDROXYPHENOXY)PROPYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
0G2S752Q5J
Created by admin on Sat Dec 16 09:44:55 GMT 2023 , Edited by admin on Sat Dec 16 09:44:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID20675815
Created by admin on Sat Dec 16 09:44:55 GMT 2023 , Edited by admin on Sat Dec 16 09:44:55 GMT 2023
PRIMARY
CAS
172430-45-4
Created by admin on Sat Dec 16 09:44:55 GMT 2023 , Edited by admin on Sat Dec 16 09:44:55 GMT 2023
PRIMARY
PUBCHEM
46781189
Created by admin on Sat Dec 16 09:44:55 GMT 2023 , Edited by admin on Sat Dec 16 09:44:55 GMT 2023
PRIMARY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC