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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H31NO11
Molecular Weight 545.5362
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOXORUBICINOL

SMILES

C[C@@]1([H])[C@]([H])([C@]([H])(C[C@@]([H])(O1)O[C@@]2([H])C[C@@](Cc3c2c(c4c(C(=O)c5cccc(c5C4=O)OC)c3O)O)([C@]([H])(CO)O)O)N)O

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 545.5362
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
The role of biotransformation in anthracycline-induced cardiotoxicity in mice.
1993 Sep
Identification of carbonyl reductase 1 as a resveratrol-binding protein by affinity chromatography using 4'-amino-3,5-dihydroxy-trans-stilbene.
2013
Metabolism of doxorubicin to the cardiotoxic metabolite doxorubicinol is increased in a mouse model of chronic glutathione deficiency: A potential role for carbonyl reductase 3.
2015 Jun 5
Substance Class Chemical
Created
by admin
on Sat Jun 26 07:20:08 UTC 2021
Edited
by admin
on Sat Jun 26 07:20:08 UTC 2021
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 Jun 26 07:20:09 UTC 2021 , Edited by admin on Sat Jun 26 07:20:09 UTC 2021
PRIMARY
CAS
54193-28-1
Created by admin on Sat Jun 26 07:20:09 UTC 2021 , Edited by admin on Sat Jun 26 07:20:09 UTC 2021
PRIMARY
PUBCHEM
83970
Created by admin on Sat Jun 26 07:20:09 UTC 2021 , Edited by admin on Sat Jun 26 07:20:09 UTC 2021
PRIMARY
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