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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H31NO11
Molecular Weight 545.5351
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOXORUBICINOL

SMILES

[H][C@@]1(C[C@H](N)[C@H](O)[C@H](C)O1)O[C@H]2C[C@@](O)(CC3=C(O)C4=C(C(=O)C5=C(OC)C=CC=C5C4=O)C(O)=C23)[C@@H](O)CO

InChI

InChIKey=NKZRZOVSJNSBFR-FEMMEMONSA-N
InChI=1S/C27H31NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,16-,17-,22+,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H31NO11
Molecular Weight 545.5351
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Doxorubicin irreversibly inactivates iron regulatory proteins 1 and 2 in cardiomyocytes: evidence for distinct metabolic pathways and implications for iron-mediated cardiotoxicity of antitumor therapy.
2001 Dec 1
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:37:32 GMT 2023
Edited
by admin
on Sat Dec 16 08:37:32 GMT 2023
Record UNII
HUH05KI4CF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOXORUBICINOL
Common Name English
RP-27706
Code English
13-DIHYDRODOXORUBICIN
Common Name English
ANTIBIOTIC 27706RP
Common Name English
ADRIAMYCINOL
Common Name English
Code System Code Type Description
FDA UNII
HUH05KI4CF
Created by admin on Sat Dec 16 08:37:32 GMT 2023 , Edited by admin on Sat Dec 16 08:37:32 GMT 2023
PRIMARY
CHEBI
133817
Created by admin on Sat Dec 16 08:37:32 GMT 2023 , Edited by admin on Sat Dec 16 08:37:32 GMT 2023
PRIMARY
CAS
54193-28-1
Created by admin on Sat Dec 16 08:37:32 GMT 2023 , Edited by admin on Sat Dec 16 08:37:32 GMT 2023
PRIMARY
PUBCHEM
83970
Created by admin on Sat Dec 16 08:37:32 GMT 2023 , Edited by admin on Sat Dec 16 08:37:32 GMT 2023
PRIMARY
Related Record Type Details
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