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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H38N2O5
Molecular Weight 434.5689
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NBI-136110

SMILES

[H][C@]12C[C@@H](OC(=O)[C@@H](N)C(C)(C)O)[C@H](CC(C)C)CN1CCC3=CC(OC)=C(OC)C=C23

InChI

InChIKey=RPHPRWCGGJGIHI-WGQQHEPDSA-N
InChI=1S/C24H38N2O5/c1-14(2)9-16-13-26-8-7-15-10-20(29-5)21(30-6)11-17(15)18(26)12-19(16)31-23(27)22(25)24(3,4)28/h10-11,14,16,18-19,22,28H,7-9,12-13,25H2,1-6H3/t16-,18-,19-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H38N2O5
Molecular Weight 434.5689
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:00:32 GMT 2023
Edited
by admin
on Sat Dec 16 14:00:32 GMT 2023
Record UNII
AY9I4R7D1F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NBI-136110
Common Name English
VALBENAZINE, (MONO OXIDATION ON VALINE)-
Common Name English
Code System Code Type Description
FDA UNII
AY9I4R7D1F
Created by admin on Sat Dec 16 14:00:32 GMT 2023 , Edited by admin on Sat Dec 16 14:00:32 GMT 2023
PRIMARY
PUBCHEM
133082445
Created by admin on Sat Dec 16 14:00:32 GMT 2023 , Edited by admin on Sat Dec 16 14:00:32 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE