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Details

Stereochemistry RACEMIC
Molecular Formula C14H21NO2.ClH
Molecular Weight 271.783
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTAMOXANE HYDROCHLORIDE

SMILES

Cl.CC(C)CCNCC1COC2=CC=CC=C2O1

InChI

InChIKey=VRWXKLMAGDCIGJ-UHFFFAOYSA-N
InChI=1S/C14H21NO2.ClH/c1-11(2)7-8-15-9-12-10-16-13-5-3-4-6-14(13)17-12;/h3-6,11-12,15H,7-10H2,1-2H3;1H

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
PENTAMOXANE HYDROCHLORIDE
Common Name English
1,4-BENZODIOXAN-2-METHYLAMINE, N-ISOPENTYL-, HYDROCHLORIDE
Systematic Name English
1,4-BENZODIOXIN-2-METHANAMINE, 2,3-DIHYDRO-N-(3-METHYLBUTYL)-, HYDROCHLORIDE
Systematic Name English
1,4-BENZODIOXIN-2-METHANAMINE, 2,3-DIHYDRO-N-(3-METHYLBUTYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20963789
Created by admin on Sat Dec 16 03:58:14 UTC 2023 , Edited by admin on Sat Dec 16 03:58:14 UTC 2023
PRIMARY
CAS
4729-93-5
Created by admin on Sat Dec 16 03:58:14 UTC 2023 , Edited by admin on Sat Dec 16 03:58:14 UTC 2023
PRIMARY
PUBCHEM
3083867
Created by admin on Sat Dec 16 03:58:14 UTC 2023 , Edited by admin on Sat Dec 16 03:58:14 UTC 2023
PRIMARY
FDA UNII
DR1HR9MZSZ
Created by admin on Sat Dec 16 03:58:14 UTC 2023 , Edited by admin on Sat Dec 16 03:58:14 UTC 2023
PRIMARY
PARENT (SALT/SOLVATE)
Structure of PENTAMOXANE
NIH
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