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Details

Stereochemistry ACHIRAL
Molecular Formula C21H27N5OS.3ClH
Molecular Weight 506.92
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LEDOXANTRONE TRIHYDROCHLORIDE

SMILES

Cl.Cl.Cl.CCN(CC)CCN1N=C2C3=C1C=CC(NCCN)=C3SC4=CC(O)=CC=C24

InChI

InChIKey=RNZAEKUSZHXFMR-UHFFFAOYSA-N
InChI=1S/C21H27N5OS.3ClH/c1-3-25(4-2)11-12-26-17-8-7-16(23-10-9-22)21-19(17)20(24-26)15-6-5-14(27)13-18(15)28-21;;;/h5-8,13,23,27H,3-4,9-12,22H2,1-2H3;3*1H

HIDE SMILES / InChI

Approval Year

Name Type Language
LEDOXANTRONE TRIHYDROCHLORIDE
USAN   WHO-DD  
USAN  
Official Name English
Ledoxantrone trihydrochloride [WHO-DD]
Common Name English
SEDOXANTRONE TRIHYDROCHLORIDE
Common Name English
5-((2-AMINOETHYL)AMINO)-2-(2-(DIETHYLAMINO)ETHYL)-2H-(1)BENZOTHIOPYRANO(4,3,2-CD)INDAZOL-8-OL TRIHYDROCHLORIDE
Systematic Name English
LEDOXANTRONE TRIHYDROCHLORIDE [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2107
Created by admin on Fri Dec 15 15:30:12 UTC 2023 , Edited by admin on Fri Dec 15 15:30:12 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL38458
Created by admin on Fri Dec 15 15:30:12 UTC 2023 , Edited by admin on Fri Dec 15 15:30:12 UTC 2023
PRIMARY
FDA UNII
X9GSL37ED0
Created by admin on Fri Dec 15 15:30:12 UTC 2023 , Edited by admin on Fri Dec 15 15:30:12 UTC 2023
PRIMARY
USAN
HH-91
Created by admin on Fri Dec 15 15:30:12 UTC 2023 , Edited by admin on Fri Dec 15 15:30:12 UTC 2023
PRIMARY
NCI_THESAURUS
C1576
Created by admin on Fri Dec 15 15:30:12 UTC 2023 , Edited by admin on Fri Dec 15 15:30:12 UTC 2023
PRIMARY
EPA CompTox
DTXSID60922895
Created by admin on Fri Dec 15 15:30:12 UTC 2023 , Edited by admin on Fri Dec 15 15:30:12 UTC 2023
PRIMARY
CAS
119221-49-7
Created by admin on Fri Dec 15 15:30:12 UTC 2023 , Edited by admin on Fri Dec 15 15:30:12 UTC 2023
PRIMARY