U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H29NO9
Molecular Weight 499.5098
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IDARUBICINOL

SMILES

C[C@H](O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C3=C(O)C4=C(C(=O)C5=CC=CC=C5C4=O)C(O)=C3C1

InChI

InChIKey=KMIBSUUWQWSRQV-BAYOIBAISA-N
InChI=1S/C26H29NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10-11,15-17,21,28-29,32-34H,7-9,27H2,1-2H3/t10-,11-,15-,16-,17-,21+,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H29NO9
Molecular Weight 499.5098
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:57:13 GMT 2025
Edited
by admin
on Mon Mar 31 21:57:13 GMT 2025
Record UNII
Z3GYR877XQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IDARUBICINOL
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID701006632
Created by admin on Mon Mar 31 21:57:13 GMT 2025 , Edited by admin on Mon Mar 31 21:57:13 GMT 2025
PRIMARY
PUBCHEM
107865
Created by admin on Mon Mar 31 21:57:13 GMT 2025 , Edited by admin on Mon Mar 31 21:57:13 GMT 2025
PRIMARY
FDA UNII
Z3GYR877XQ
Created by admin on Mon Mar 31 21:57:13 GMT 2025 , Edited by admin on Mon Mar 31 21:57:13 GMT 2025
PRIMARY
CAS
86189-66-4
Created by admin on Mon Mar 31 21:57:13 GMT 2025 , Edited by admin on Mon Mar 31 21:57:13 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE