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Details

Stereochemistry ACHIRAL
Molecular Formula 2C15H16N2O2.2ClH.H2O
Molecular Weight 603.537
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NAFAGREL HYDROCHLORIDE HEMIHYDRATE

SMILES

O.Cl.Cl.OC(=O)C1=CC=C2CC(CN3C=CN=C3)CCC2=C1.OC(=O)C4=CC=C5CC(CN6C=CN=C6)CCC5=C4

InChI

InChIKey=HPUSTZZITOBRFQ-UHFFFAOYSA-N
InChI=1S/2C15H16N2O2.2ClH.H2O/c2*18-15(19)14-4-3-12-7-11(1-2-13(12)8-14)9-17-6-5-16-10-17;;;/h2*3-6,8,10-11H,1-2,7,9H2,(H,18,19);2*1H;1H2

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
NAFAGREL HYDROCHLORIDE HEMIHYDRATE
Common Name English
6-(1-IMIDAZOLYLMETHYL)-5,6,7,8-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID HYDROCHLORIDE HEMIHYDRATE
Common Name English
2-NAPHTHALENECARBOXYLIC ACID, 5,6,7,8-TETRAHYDRO-6-(1H-IMIDAZOL-1-YLMETHYL)-, HYDROCHLORIDE, HYDRATE (2:2:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50924328
Created by admin on Fri Dec 15 15:30:12 UTC 2023 , Edited by admin on Fri Dec 15 15:30:12 UTC 2023
PRIMARY
PUBCHEM
183604
Created by admin on Fri Dec 15 15:30:12 UTC 2023 , Edited by admin on Fri Dec 15 15:30:12 UTC 2023
PRIMARY
FDA UNII
7CH5E50P0D
Created by admin on Fri Dec 15 15:30:12 UTC 2023 , Edited by admin on Fri Dec 15 15:30:12 UTC 2023
PRIMARY
CAS
122956-67-6
Created by admin on Fri Dec 15 15:30:12 UTC 2023 , Edited by admin on Fri Dec 15 15:30:12 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of NAFAGREL
NIH
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