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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H29NO4
Molecular Weight 335.4379
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NBI-679006

SMILES

[H][C@]12C[C@@H](O)[C@H](CC(C)(C)O)CN1CCC3=C2C=C(OC)C(OC)=C3

InChI

InChIKey=YUFPLHFQRPLAGK-FVQBIDKESA-N
InChI=1S/C19H29NO4/c1-19(2,22)10-13-11-20-6-5-12-7-17(23-3)18(24-4)8-14(12)15(20)9-16(13)21/h7-8,13,15-16,21-22H,5-6,9-11H2,1-4H3/t13-,15-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H29NO4
Molecular Weight 335.4379
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:56:55 GMT 2023
Edited
by admin
on Sat Dec 16 13:56:55 GMT 2023
Record UNII
U468L2N9ZU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NBI-679006
Code English
VALBENAZINE METABOLITE M10B
Common Name English
Code System Code Type Description
FDA UNII
U468L2N9ZU
Created by admin on Sat Dec 16 13:56:55 GMT 2023 , Edited by admin on Sat Dec 16 13:56:55 GMT 2023
PRIMARY
CAS
7744-55-0
Created by admin on Sat Dec 16 13:56:55 GMT 2023 , Edited by admin on Sat Dec 16 13:56:55 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
156596413
Created by admin on Sat Dec 16 13:56:55 GMT 2023 , Edited by admin on Sat Dec 16 13:56:55 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE