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Details

Stereochemistry ACHIRAL
Molecular Formula C21H27N5OS
Molecular Weight 397.537
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LEDOXANTRONE

SMILES

CCN(CC)CCN1N=C2C3=C1C=CC(NCCN)=C3SC4=C2C=CC(O)=C4

InChI

InChIKey=HPCHDLLMIWHKBW-UHFFFAOYSA-N
InChI=1S/C21H27N5OS/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

HIDE SMILES / InChI

Molecular Formula C21H27N5OS
Molecular Weight 397.537
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:56:49 UTC 2023
Edited
by admin
on Fri Dec 15 18:56:49 UTC 2023
Record UNII
8HBT2JRJ5T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LEDOXANTRONE
INN   WHO-DD  
INN  
Official Name English
CI-958
Code English
Ledoxantrone [WHO-DD]
Common Name English
ledoxantrone [INN]
Common Name English
SEDOXANTRONE
Common Name English
5-((2-AMINOETHYL)AMINO)-2-(2-(DIETHYLAMINO)ETHYL)-2H-(1)BENZOTHIOPYRANO(4,3,2-CD)INDAZOL-8-OL
Systematic Name English
Code System Code Type Description
EVMPD
SUB08422MIG
Created by admin on Fri Dec 15 18:56:49 UTC 2023 , Edited by admin on Fri Dec 15 18:56:49 UTC 2023
PRIMARY
INN
7507
Created by admin on Fri Dec 15 18:56:49 UTC 2023 , Edited by admin on Fri Dec 15 18:56:49 UTC 2023
PRIMARY
CAS
113457-05-9
Created by admin on Fri Dec 15 18:56:49 UTC 2023 , Edited by admin on Fri Dec 15 18:56:49 UTC 2023
PRIMARY
FDA UNII
8HBT2JRJ5T
Created by admin on Fri Dec 15 18:56:49 UTC 2023 , Edited by admin on Fri Dec 15 18:56:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID40921068
Created by admin on Fri Dec 15 18:56:49 UTC 2023 , Edited by admin on Fri Dec 15 18:56:49 UTC 2023
PRIMARY
ChEMBL
CHEMBL38458
Created by admin on Fri Dec 15 18:56:49 UTC 2023 , Edited by admin on Fri Dec 15 18:56:49 UTC 2023
PRIMARY
NCI_THESAURUS
C175106
Created by admin on Fri Dec 15 18:56:49 UTC 2023 , Edited by admin on Fri Dec 15 18:56:49 UTC 2023
PRIMARY
SMS_ID
100000082565
Created by admin on Fri Dec 15 18:56:49 UTC 2023 , Edited by admin on Fri Dec 15 18:56:49 UTC 2023
PRIMARY
MESH
C054558
Created by admin on Fri Dec 15 18:56:49 UTC 2023 , Edited by admin on Fri Dec 15 18:56:49 UTC 2023
PRIMARY
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