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Details

Stereochemistry ACHIRAL
Molecular Formula C22H26N4O7
Molecular Weight 458.4644
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Mitoxantrone monocarboxylic acid

SMILES

OCCNCCNC1=C2C(=O)C3=C(O)C=CC(O)=C3C(=O)C2=C(NCCNCC(O)=O)C=C1

InChI

InChIKey=ATIAHAUGEJHHNT-UHFFFAOYSA-N
InChI=1S/C22H26N4O7/c27-10-9-23-5-7-25-12-1-2-13(26-8-6-24-11-16(30)31)18-17(12)21(32)19-14(28)3-4-15(29)20(19)22(18)33/h1-4,23-29H,5-11H2,(H,30,31)

HIDE SMILES / InChI

Molecular Formula C22H26N4O7
Molecular Weight 458.4644
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 Wed Apr 02 20:28:40 GMT 2025
Edited
by admin
on Wed Apr 02 20:28:40 GMT 2025
Record UNII
VZ8T2W75X2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CL 285049
Preferred Name English
Mitoxantrone monocarboxylic acid
Common Name English
Glycine, N-[2-[[9,10-dihydro-5,8-dihydroxy-4-[[2-[(2-hydroxyethyl)amino]ethyl]amino]-9,10-dioxo-1-anthracenyl]amino]ethyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
VZ8T2W75X2
Created by admin on Wed Apr 02 20:28:40 GMT 2025 , Edited by admin on Wed Apr 02 20:28:40 GMT 2025
PRIMARY
CAS
97729-56-1
Created by admin on Wed Apr 02 20:28:40 GMT 2025 , Edited by admin on Wed Apr 02 20:28:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID40243217
Created by admin on Wed Apr 02 20:28:40 GMT 2025 , Edited by admin on Wed Apr 02 20:28:40 GMT 2025
PRIMARY
PUBCHEM
126803
Created by admin on Wed Apr 02 20:28:40 GMT 2025 , Edited by admin on Wed Apr 02 20:28:40 GMT 2025
PRIMARY
Related Record Type Details
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