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Details

Stereochemistry ACHIRAL
Molecular Formula C22H28N4O6.2ClH
Molecular Weight 517.403
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BANOXANTRONE DIHYDROCHLORIDE

SMILES

Cl.Cl.C[N+](C)([O-])CCNC1=CC=C(NCC[N+](C)(C)[O-])C2=C1C(=O)C3=C(O)C=CC(O)=C3C2=O

InChI

InChIKey=SBWCPHUXRZRTDP-UHFFFAOYSA-N
InChI=1S/C22H28N4O6.2ClH/c1-25(2,31)11-9-23-13-5-6-14(24-10-12-26(3,4)32)18-17(13)21(29)19-15(27)7-8-16(28)20(19)22(18)30;;/h5-8,23-24,27-28H,9-12H2,1-4H3;2*1H

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
BANOXANTRONE DIHYDROCHLORIDE
Common Name English
1,4-BIS((2-(DIMETHYLAMINO)ETHYL)AMINO)-5,8-DIHYDROXYANTHRACENE-9,10-DIONE BIS-N-OXIDE HYDROCHLORIDE
Systematic Name English
1,4-BIS((2-(DIMETHYLNITRORYL)ETHYL)AMINO)-5,8-DIHYDROXYANTHRA-9,10-QUINONE DIHYDROCHLORIDE
Systematic Name English
Code System Code Type Description
MESH
C094428
Created by admin on Fri Dec 15 15:35:43 UTC 2023 , Edited by admin on Fri Dec 15 15:35:43 UTC 2023
PRIMARY
FDA UNII
658876KMFP
Created by admin on Fri Dec 15 15:35:43 UTC 2023 , Edited by admin on Fri Dec 15 15:35:43 UTC 2023
PRIMARY
CAS
252979-56-9
Created by admin on Fri Dec 15 15:35:43 UTC 2023 , Edited by admin on Fri Dec 15 15:35:43 UTC 2023
PRIMARY
SMS_ID
100000177196
Created by admin on Fri Dec 15 15:35:43 UTC 2023 , Edited by admin on Fri Dec 15 15:35:43 UTC 2023
PRIMARY
PUBCHEM
72941779
Created by admin on Fri Dec 15 15:35:43 UTC 2023 , Edited by admin on Fri Dec 15 15:35:43 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of Banoxantrone
NIH
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