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Details

Stereochemistry ACHIRAL
Molecular Formula C22H29N3O5
Molecular Weight 415.4828
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NINERAFAXSTAT

SMILES

COC1=CC=C(CN2CCN(CCOC(=O)C3=CC=CN=C3)CC2)C(OC)=C1OC

InChI

InChIKey=AGVJLPKGBKSLKF-UHFFFAOYSA-N
InChI=1S/C22H29N3O5/c1-27-19-7-6-18(20(28-2)21(19)29-3)16-25-11-9-24(10-12-25)13-14-30-22(26)17-5-4-8-23-15-17/h4-8,15H,9-14,16H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C22H29N3O5
Molecular Weight 415.4828
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:07:29 UTC 2023
Edited
by admin
on Sat Dec 16 19:07:29 UTC 2023
Record UNII
0RB6V4E5XN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NINERAFAXSTAT
USAN   INN  
Official Name English
2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1- yl}ethyl pyridine-3-carboxylate
Systematic Name English
2-(4-(2,3,4-trimethoxybenzyl)piperazin-1-yl)ethyl nicotinate
Systematic Name English
NINERAFAXSTAT [USAN]
Common Name English
IMB-1018972
Code English
3-Pyridinecarboxylic acid, 2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]ethyl ester
Systematic Name English
ninerafaxstat [INN]
Common Name English
Code System Code Type Description
CAS
2254741-41-6
Created by admin on Sat Dec 16 19:07:30 UTC 2023 , Edited by admin on Sat Dec 16 19:07:30 UTC 2023
PRIMARY
NCI_THESAURUS
C179109
Created by admin on Sat Dec 16 19:07:30 UTC 2023 , Edited by admin on Sat Dec 16 19:07:30 UTC 2023
PRIMARY
SMS_ID
300000013263
Created by admin on Sat Dec 16 19:07:30 UTC 2023 , Edited by admin on Sat Dec 16 19:07:30 UTC 2023
PRIMARY
PUBCHEM
137359209
Created by admin on Sat Dec 16 19:07:30 UTC 2023 , Edited by admin on Sat Dec 16 19:07:30 UTC 2023
PRIMARY
INN
11431
Created by admin on Sat Dec 16 19:07:30 UTC 2023 , Edited by admin on Sat Dec 16 19:07:30 UTC 2023
PRIMARY INN
FDA UNII
0RB6V4E5XN
Created by admin on Sat Dec 16 19:07:30 UTC 2023 , Edited by admin on Sat Dec 16 19:07:30 UTC 2023
PRIMARY
USAN
KL-52
Created by admin on Sat Dec 16 19:07:30 UTC 2023 , Edited by admin on Sat Dec 16 19:07:30 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY