U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H27NO11
Molecular Weight 529.4927
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-Desacetyl-8-carboxy daunorubicin

SMILES

[H][C@@]1(C[C@H](N)[C@H](O)[C@H](C)O1)O[C@H]2C[C@@](O)(CC3=C2C(O)=C4C(=O)C5=C(OC)C=CC=C5C(=O)C4=C3O)C(O)=O

InChI

InChIKey=UOZJSBYGENSCDJ-FHRHSTJFSA-N
InChI=1S/C26H27NO11/c1-9-20(28)12(27)6-15(37-9)38-14-8-26(35,25(33)34)7-11-17(14)24(32)19-18(22(11)30)21(29)10-4-3-5-13(36-2)16(10)23(19)31/h3-5,9,12,14-15,20,28,30,32,35H,6-8,27H2,1-2H3,(H,33,34)/t9-,12-,14-,15-,20+,26-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
8-Desacetyl-8-carboxy daunorubicin
Common Name English
Doxorubicin Impurity 6
Common Name English
2-Naphthacenecarboxylic acid, 4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-, (2S,4S)-
Systematic Name English
(2S,4S)-4-(((2R,4S,5S,6S)-4-Amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-2-carboxylic acid
Systematic Name English
2-Naphthacenecarboxylic acid, 4-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-, (2S-cis)-
Systematic Name English
(2S,4S)-4-[(3-Amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenecarboxylic acid
Systematic Name English
4-[(3-Amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenecarboxylic acid, (2S,4S)-
Systematic Name English
Code System Code Type Description
CAS
69429-21-6
Created by admin on Sat Dec 16 19:53:40 GMT 2023 , Edited by admin on Sat Dec 16 19:53:40 GMT 2023
PRIMARY
PUBCHEM
52947885
Created by admin on Sat Dec 16 19:53:40 GMT 2023 , Edited by admin on Sat Dec 16 19:53:40 GMT 2023
PRIMARY
FDA UNII
U9P6TN4ZAR
Created by admin on Sat Dec 16 19:53:40 GMT 2023 , Edited by admin on Sat Dec 16 19:53:40 GMT 2023
PRIMARY