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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H27NO10
Molecular Weight 513.4933
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MEDORUBICIN

SMILES

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

InChI

InChIKey=XVXGYZFARCOVHS-BINOZUKVSA-N
InChI=1S/C26H27NO10/c1-10-21(30)14(27)6-17(36-10)37-15-8-26(35,16(29)9-28)7-13-18(15)25(34)20-19(24(13)33)22(31)11-4-2-3-5-12(11)23(20)32/h2-5,10,14-15,17,21,28,30,33-35H,6-9,27H2,1H3/t10-,14-,15-,17-,21+,26-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MEDORUBICIN
INN  
INN  
Official Name English
medorubicin [INN]
Common Name English
(1S,3S)-3-GLYCOLOYL-1,2,3,4,6,11-HEXAHYDRO-3,5,12-TRIHYDROXY-6,11-DIOXO-1-NAPHTHACENYL 3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSIDE
Common Name English
NSC-256438
Code English
Classification Tree Code System Code
NCI_THESAURUS C1594
Created by admin on Fri Dec 15 16:46:28 UTC 2023 , Edited by admin on Fri Dec 15 16:46:28 UTC 2023
Code System Code Type Description
PUBCHEM
498156
Created by admin on Fri Dec 15 16:46:28 UTC 2023 , Edited by admin on Fri Dec 15 16:46:28 UTC 2023
PRIMARY
NSC
256438
Created by admin on Fri Dec 15 16:46:28 UTC 2023 , Edited by admin on Fri Dec 15 16:46:28 UTC 2023
PRIMARY
SMS_ID
100000081991
Created by admin on Fri Dec 15 16:46:28 UTC 2023 , Edited by admin on Fri Dec 15 16:46:28 UTC 2023
PRIMARY
CAS
64314-52-9
Created by admin on Fri Dec 15 16:46:28 UTC 2023 , Edited by admin on Fri Dec 15 16:46:28 UTC 2023
PRIMARY
INN
5173
Created by admin on Fri Dec 15 16:46:28 UTC 2023 , Edited by admin on Fri Dec 15 16:46:28 UTC 2023
PRIMARY
ChEMBL
CHEMBL458336
Created by admin on Fri Dec 15 16:46:28 UTC 2023 , Edited by admin on Fri Dec 15 16:46:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID90867068
Created by admin on Fri Dec 15 16:46:28 UTC 2023 , Edited by admin on Fri Dec 15 16:46:28 UTC 2023
PRIMARY
EVMPD
SUB08695MIG
Created by admin on Fri Dec 15 16:46:28 UTC 2023 , Edited by admin on Fri Dec 15 16:46:28 UTC 2023
PRIMARY
NCI_THESAURUS
C87599
Created by admin on Fri Dec 15 16:46:28 UTC 2023 , Edited by admin on Fri Dec 15 16:46:28 UTC 2023
PRIMARY
FDA UNII
NU158DGH9E
Created by admin on Fri Dec 15 16:46:28 UTC 2023 , Edited by admin on Fri Dec 15 16:46:28 UTC 2023
PRIMARY