PENTAMOXANE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H21NO2
Molecular Weight	235.322
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PENTAMOXANE

Structure Search

SMILES

CC(C)CCNCC1COC2=CC=CC=C2O1

InChI

InChIKey=DBXSOFDAWXSIJV-UHFFFAOYSA-N

InChI=1S/C14H21NO2/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

HIDE SMILES / InChI

Molecular Formula	C14H21NO2
Molecular Weight	235.322
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: Ganellin C.R., Triggle David J., Dictionary of Pharmacological Agents, retrieved from: https://books.google.ru/books?id=Z_mfTTIApVEC&pg=PA623&lpg=PA623&dq=PENTAMOXANE&source=bl&ots=EtGGNqPDD-&sig=ACfU3U11bte_tMJ09NH4ZijtdLrqZSmPMA&hl=ru&sa=X&ved=2ahUKEwjVmPHK7YbjAhUKWZoKHQt9Bgs4HhDoATAEegQIBRAB#v=onepage&q=PENTAMOXANE&f=false

Pentamoxane was developed as a tranquilizer. Information about the further development of this compound is not available.

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:00:43 GMT 2025` Edited by `admin` on `Mon Mar 31 21:00:43 GMT 2025`
Record UNII	3058ED330D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENTAMOXANE

Official Name

English

pentamoxane [INN]

Preferred Name

English

1,4-BENZODIOXIN-2-METHANAMINE, 2,3-DIHYDRO-N-(3-METHYLBUTYL)-

Systematic Name

English

2-ISOPENTYLAMINOMETHYL-1,4-BENZODIOXANE

Systematic Name

English

1,4-BENZODIOXAN-2-METHYLAMINE, N-ISOPENTYL-

Systematic Name

English

Code System Code Type Description

INN

1128

Created by admin on Mon Mar 31 21:00:43 GMT 2025 , Edited by admin on Mon Mar 31 21:00:43 GMT 2025

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EVMPD

SUB09684MIG

Created by admin on Mon Mar 31 21:00:43 GMT 2025 , Edited by admin on Mon Mar 31 21:00:43 GMT 2025

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PUBCHEM

3083868

Created by admin on Mon Mar 31 21:00:43 GMT 2025 , Edited by admin on Mon Mar 31 21:00:43 GMT 2025

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NCI_THESAURUS

C166613

Created by admin on Mon Mar 31 21:00:43 GMT 2025 , Edited by admin on Mon Mar 31 21:00:43 GMT 2025

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SMS_ID

100000082489

Created by admin on Mon Mar 31 21:00:43 GMT 2025 , Edited by admin on Mon Mar 31 21:00:43 GMT 2025

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ChEMBL

CHEMBL2111050

Created by admin on Mon Mar 31 21:00:43 GMT 2025 , Edited by admin on Mon Mar 31 21:00:43 GMT 2025

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FDA UNII

3058ED330D

Created by admin on Mon Mar 31 21:00:43 GMT 2025 , Edited by admin on Mon Mar 31 21:00:43 GMT 2025

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CAS

4730-07-8

Created by admin on Mon Mar 31 21:00:43 GMT 2025 , Edited by admin on Mon Mar 31 21:00:43 GMT 2025

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EPA CompTox

DTXSID50963797

Created by admin on Mon Mar 31 21:00:43 GMT 2025 , Edited by admin on Mon Mar 31 21:00:43 GMT 2025

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Related Record Type Details


					DR1HR9MZSZ

PENTAMOXANE HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Related Record Type Details

3058ED330D

ACTIVE MOIETY