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Details

Stereochemistry ACHIRAL
Molecular Formula C22H29N3O5.3ClH
Molecular Weight 524.866
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NINERAFAXSTAT TRIHYDROCHLORIDE

SMILES

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

InChI

InChIKey=XDBODYSZDLGFRQ-UHFFFAOYSA-N
InChI=1S/C22H29N3O5.3ClH/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;3*1H

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

Molecular Formula ClH
Molecular Weight 36.461
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 14:42:55 GMT 2023
Edited
by admin
on Sat Dec 16 14:42:55 GMT 2023
Record UNII
I323MN994L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NINERAFAXSTAT TRIHYDROCHLORIDE
Common Name English
3-PYRIDINECARBOXYLIC ACID, 2-(4-((2,3,4-TRIMETHOXYPHENYL)METHYL)-1-PIPERAZINYL)ETHYL ESTER, HYDROCHLORIDE (1:3)
Systematic Name English
2-(4-((2,3,4-TRIMETHOXYPHENYL)METHYL)PIPERAZIN-1-YL)ETHYL PYRIDINE-3-CARBOXYLATE TRIHYDROCHLORIDE
Systematic Name English
IMB-1018972 TRIHYDROCHLORIDE
Code English
Code System Code Type Description
CAS
2311824-72-1
Created by admin on Sat Dec 16 14:42:55 GMT 2023 , Edited by admin on Sat Dec 16 14:42:55 GMT 2023
PRIMARY
FDA UNII
I323MN994L
Created by admin on Sat Dec 16 14:42:55 GMT 2023 , Edited by admin on Sat Dec 16 14:42:55 GMT 2023
PRIMARY
PUBCHEM
155801579
Created by admin on Sat Dec 16 14:42:55 GMT 2023 , Edited by admin on Sat Dec 16 14:42:55 GMT 2023
PRIMARY PUBCHEM
Related Record Type Details
SOLVATE->ANHYDROUS