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Details

Stereochemistry ACHIRAL
Molecular Formula C22H28N2O2S.ClH
Molecular Weight 420.996
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BECANTHONE HYDROCHLORIDE

SMILES

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

InChI

InChIKey=FQGZKQSSKVAZPH-UHFFFAOYSA-N
InChI=1S/C22H28N2O2S.ClH/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;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 15:09:12 GMT 2023
Edited
by admin
on Fri Dec 15 15:09:12 GMT 2023
Record UNII
63T152J867
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BECANTHONE HYDROCHLORIDE
MI   USAN  
USAN  
Official Name English
WIN 13820
Code English
BECANTHONE HCL
Common Name English
BECANTHONE HYDROCHLORIDE [USAN]
Common Name English
9H-THIOXANTHEN-9-ONE, 1-((2-(ETHYL(2-HYDROXY-2-METHYLPROPYL)AMINO)ETHYL)AMINO)-4-METHYL-, HYDROCHLORIDE (1:1)
Systematic Name English
NSC-15796
Code English
BECANTONE HYDROCHLORIDE
Common Name English
LORANIL
Brand Name English
WIN-13820
Code English
BECANTHONE HYDROCHLORIDE [MI]
Common Name English
9H-THIOXANTHEN-9-ONE, 1-((2-(ETHYL(2-HYDROXY-2-METHOXYPROPYL)AMINO)ETHYL)AMINO)-4-METHYL-, MONOHYDROCHLORIDE
Common Name English
1-[[2-[Ethyl(2-hydroxy-2-methylpropyl)amino]ethyl]amino]-4-methylthioxanthen-9-one monohydrochloride
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C250
Created by admin on Fri Dec 15 15:09:12 GMT 2023 , Edited by admin on Fri Dec 15 15:09:12 GMT 2023
Code System Code Type Description
PUBCHEM
20055418
Created by admin on Fri Dec 15 15:09:12 GMT 2023 , Edited by admin on Fri Dec 15 15:09:12 GMT 2023
PRIMARY
FDA UNII
63T152J867
Created by admin on Fri Dec 15 15:09:12 GMT 2023 , Edited by admin on Fri Dec 15 15:09:12 GMT 2023
PRIMARY
CAS
5591-22-0
Created by admin on Fri Dec 15 15:09:12 GMT 2023 , Edited by admin on Fri Dec 15 15:09:12 GMT 2023
PRIMARY
MERCK INDEX
m62
Created by admin on Fri Dec 15 15:09:12 GMT 2023 , Edited by admin on Fri Dec 15 15:09:12 GMT 2023
PRIMARY Merck Index
NCI_THESAURUS
C78089
Created by admin on Fri Dec 15 15:09:12 GMT 2023 , Edited by admin on Fri Dec 15 15:09:12 GMT 2023
PRIMARY
NSC
15796
Created by admin on Fri Dec 15 15:09:12 GMT 2023 , Edited by admin on Fri Dec 15 15:09:12 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110763
Created by admin on Fri Dec 15 15:09:12 GMT 2023 , Edited by admin on Fri Dec 15 15:09:12 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE