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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

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 ( + / - )

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:47:34 GMT 2023
Edited
by admin
on Sat Dec 16 01:47:34 GMT 2023
Record UNII
3058ED330D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTAMOXANE
INN  
INN  
Official 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
pentamoxane [INN]
Common Name English
Code System Code Type Description
INN
1128
Created by admin on Sat Dec 16 01:47:34 GMT 2023 , Edited by admin on Sat Dec 16 01:47:34 GMT 2023
PRIMARY
EVMPD
SUB09684MIG
Created by admin on Sat Dec 16 01:47:34 GMT 2023 , Edited by admin on Sat Dec 16 01:47:34 GMT 2023
PRIMARY
PUBCHEM
3083868
Created by admin on Sat Dec 16 01:47:34 GMT 2023 , Edited by admin on Sat Dec 16 01:47:34 GMT 2023
PRIMARY
NCI_THESAURUS
C166613
Created by admin on Sat Dec 16 01:47:34 GMT 2023 , Edited by admin on Sat Dec 16 01:47:34 GMT 2023
PRIMARY
SMS_ID
100000082489
Created by admin on Sat Dec 16 01:47:34 GMT 2023 , Edited by admin on Sat Dec 16 01:47:34 GMT 2023
PRIMARY
ChEMBL
CHEMBL2111050
Created by admin on Sat Dec 16 01:47:34 GMT 2023 , Edited by admin on Sat Dec 16 01:47:34 GMT 2023
PRIMARY
FDA UNII
3058ED330D
Created by admin on Sat Dec 16 01:47:34 GMT 2023 , Edited by admin on Sat Dec 16 01:47:34 GMT 2023
PRIMARY
CAS
4730-07-8
Created by admin on Sat Dec 16 01:47:34 GMT 2023 , Edited by admin on Sat Dec 16 01:47:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID50963797
Created by admin on Sat Dec 16 01:47:34 GMT 2023 , Edited by admin on Sat Dec 16 01:47:34 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY