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Details

Stereochemistry ACHIRAL
Molecular Formula C22H28N2O2S
Molecular Weight 384.535
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BECANTHONE

SMILES

CCN(CCNC1=CC=C(C)C2=C1C(=O)C3=CC=CC=C3S2)CC(C)(C)O

InChI

InChIKey=ATQREMXMJIWUIN-UHFFFAOYSA-N
InChI=1S/C22H28N2O2S/c1-5-24(14-22(3,4)26)13-12-23-17-11-10-15(2)21-19(17)20(25)16-8-6-7-9-18(16)27-21/h6-11,23,26H,5,12-14H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C22H28N2O2S
Molecular Weight 384.535
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:11:36 GMT 2023
Edited
by admin
on Fri Dec 15 16:11:36 GMT 2023
Record UNII
A6P8OYN3G5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BECANTHONE
MI  
Common Name English
BECANTONE
INN  
INN  
Official Name English
becantone [INN]
Common Name English
9H-THIOXANTHEN-9-ONE, 1-((2-(ETHYL(2-HYDROXY-2-METHOXYPROPYL)AMINO)ETHYL)AMINO)-4-METHYL-
Systematic Name English
BECANTHONE [MI]
Common Name English
1-((2-(ETHYL(2-HYDROXY-2-METHYLPROPYL)AMINO)ETHYL)AMINO)-4-METHYLTHIOXANTHEN-9-ONE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C250
Created by admin on Fri Dec 15 16:11:36 GMT 2023 , Edited by admin on Fri Dec 15 16:11:36 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID60934771
Created by admin on Fri Dec 15 16:11:36 GMT 2023 , Edited by admin on Fri Dec 15 16:11:36 GMT 2023
PRIMARY
FDA UNII
A6P8OYN3G5
Created by admin on Fri Dec 15 16:11:36 GMT 2023 , Edited by admin on Fri Dec 15 16:11:36 GMT 2023
PRIMARY
EVMPD
SUB05673MIG
Created by admin on Fri Dec 15 16:11:36 GMT 2023 , Edited by admin on Fri Dec 15 16:11:36 GMT 2023
PRIMARY
MERCK INDEX
m62
Created by admin on Fri Dec 15 16:11:36 GMT 2023 , Edited by admin on Fri Dec 15 16:11:36 GMT 2023
PRIMARY Merck Index
CAS
15351-04-9
Created by admin on Fri Dec 15 16:11:36 GMT 2023 , Edited by admin on Fri Dec 15 16:11:36 GMT 2023
PRIMARY
PUBCHEM
21793
Created by admin on Fri Dec 15 16:11:36 GMT 2023 , Edited by admin on Fri Dec 15 16:11:36 GMT 2023
PRIMARY
INN
1564
Created by admin on Fri Dec 15 16:11:36 GMT 2023 , Edited by admin on Fri Dec 15 16:11:36 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110763
Created by admin on Fri Dec 15 16:11:36 GMT 2023 , Edited by admin on Fri Dec 15 16:11:36 GMT 2023
PRIMARY
NCI_THESAURUS
C79918
Created by admin on Fri Dec 15 16:11:36 GMT 2023 , Edited by admin on Fri Dec 15 16:11:36 GMT 2023
PRIMARY
SMS_ID
100000086110
Created by admin on Fri Dec 15 16:11:36 GMT 2023 , Edited by admin on Fri Dec 15 16:11:36 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY