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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H22N2O14
Molecular Weight 562.4365
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MITOXANTRONE GLUCURONIDE

SMILES

[H][C@@]4(OC(=O)CNC1=CC=C(NCC(O)=O)C2=C1C(=O)C3=C(C2=O)C(O)=CC=C3O)O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=YSHFPAJYWKOPFW-QMDPOKHVSA-N
InChI=1S/C24H22N2O14/c27-9-3-4-10(28)16-15(9)17(32)13-7(25-5-11(29)30)1-2-8(14(13)18(16)33)26-6-12(31)39-24-21(36)19(34)20(35)22(40-24)23(37)38/h1-4,19-22,24-28,34-36H,5-6H2,(H,29,30)(H,37,38)/t19-,20-,21+,22-,24+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MITOXANTRONE GLUCURONIDE
Common Name English
(2S,3S,4S,5R,6S)-6-(2-((4-(CARBOXYMETHYLAMINO)-5,8-DIHYDROXY-9,10-DIOXO-1-ANTHRYL)AMINO)ACETYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
4XCC2XCN4R
Created by admin on Sat Dec 16 13:41:25 GMT 2023 , Edited by admin on Sat Dec 16 13:41:25 GMT 2023
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PUBCHEM
155928972
Created by admin on Sat Dec 16 13:41:25 GMT 2023 , Edited by admin on Sat Dec 16 13:41:25 GMT 2023
PRIMARY