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

Details

Stereochemistry RACEMIC
Molecular Formula C20H26N2O2
Molecular Weight 326.4326
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VERADOLINE

SMILES

COC1=CC2=C(C=C1OC)C(C)N(CCC3=CC=C(N)C=C3)CC2

InChI

InChIKey=KUYSNZZXTMKUTK-UHFFFAOYSA-N
InChI=1S/C20H26N2O2/c1-14-18-13-20(24-3)19(23-2)12-16(18)9-11-22(14)10-8-15-4-6-17(21)7-5-15/h4-7,12-14H,8-11,21H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C20H26N2O2
Molecular Weight 326.4326
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:49:19 GMT 2023
Edited
by admin
on Fri Dec 15 16:49:19 GMT 2023
Record UNII
NB82166K5A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VERADOLINE
INN   WHO-DD  
INN  
Official Name English
Veradoline [WHO-DD]
Common Name English
veradoline [INN]
Common Name English
BENZENAMINE, 4-(2-(3,4-DIHYDRO-6,7-DIMETHOXY-1-METHYL-2(1H)-ISOQUINOLINYL)ETHYL)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C241
Created by admin on Fri Dec 15 16:49:19 GMT 2023 , Edited by admin on Fri Dec 15 16:49:19 GMT 2023
Code System Code Type Description
CAS
79201-80-2
Created by admin on Fri Dec 15 16:49:19 GMT 2023 , Edited by admin on Fri Dec 15 16:49:19 GMT 2023
SUPERSEDED
EPA CompTox
DTXSID00868506
Created by admin on Fri Dec 15 16:49:19 GMT 2023 , Edited by admin on Fri Dec 15 16:49:19 GMT 2023
PRIMARY
FDA UNII
NB82166K5A
Created by admin on Fri Dec 15 16:49:19 GMT 2023 , Edited by admin on Fri Dec 15 16:49:19 GMT 2023
PRIMARY
INN
5158
Created by admin on Fri Dec 15 16:49:19 GMT 2023 , Edited by admin on Fri Dec 15 16:49:19 GMT 2023
PRIMARY
NCI_THESAURUS
C152855
Created by admin on Fri Dec 15 16:49:19 GMT 2023 , Edited by admin on Fri Dec 15 16:49:19 GMT 2023
PRIMARY
EVMPD
SUB00036MIG
Created by admin on Fri Dec 15 16:49:19 GMT 2023 , Edited by admin on Fri Dec 15 16:49:19 GMT 2023
PRIMARY
CAS
82924-71-8
Created by admin on Fri Dec 15 16:49:19 GMT 2023 , Edited by admin on Fri Dec 15 16:49:19 GMT 2023
PRIMARY
ChEMBL
CHEMBL2111059
Created by admin on Fri Dec 15 16:49:19 GMT 2023 , Edited by admin on Fri Dec 15 16:49:19 GMT 2023
PRIMARY
SMS_ID
100000079098
Created by admin on Fri Dec 15 16:49:19 GMT 2023 , Edited by admin on Fri Dec 15 16:49:19 GMT 2023
PRIMARY
PUBCHEM
53505
Created by admin on Fri Dec 15 16:49:19 GMT 2023 , Edited by admin on Fri Dec 15 16:49:19 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
SALT/SOLVATE -> PARENT
ENANTIOMER -> RACEMATE
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY