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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H32FNO13
Molecular Weight 633.5724
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GALARUBICIN

SMILES

[H][C@@]5(O[C@H]1C[C@@](O)(CC2=C(O)C3=C(C(=O)C4=C(OC)C=CC=C4C3=O)C(O)=C12)C(=O)COC(=O)CCN)O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]5F

InChI

InChIKey=CKXIPXAIFMTQCS-LRDUUELOSA-N
InChI=1S/C30H32FNO13/c1-11-23(35)28(40)22(31)29(44-11)45-15-9-30(41,16(33)10-43-17(34)6-7-32)8-13-19(15)27(39)21-20(25(13)37)24(36)12-4-3-5-14(42-2)18(12)26(21)38/h3-5,11,15,22-23,28-29,35,37,39-41H,6-10,32H2,1-2H3/t11-,15-,22+,23+,28-,29-,30-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GALARUBICIN
INN   WHO-DD  
INN  
Official Name English
Galarubicin [WHO-DD]
Common Name English
galarubicin [INN]
Common Name English
(8S,10S)-10-((2.6-DIDEOXY-2-FLUORO-.ALPHA.-L-TALOPYRANOSYL)OXY)-8-GLYCOLOYL-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-5,12-NAPHTHACENEDIONE 8(SUP 2)-ESTER WITH .BETA.-ALANINE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1594
Created by admin on Fri Dec 15 16:02:34 UTC 2023 , Edited by admin on Fri Dec 15 16:02:34 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C81422
Created by admin on Fri Dec 15 16:02:34 UTC 2023 , Edited by admin on Fri Dec 15 16:02:34 UTC 2023
PRIMARY
FDA UNII
6F39648E92
Created by admin on Fri Dec 15 16:02:34 UTC 2023 , Edited by admin on Fri Dec 15 16:02:34 UTC 2023
PRIMARY
SMS_ID
100000087256
Created by admin on Fri Dec 15 16:02:34 UTC 2023 , Edited by admin on Fri Dec 15 16:02:34 UTC 2023
PRIMARY
ChEMBL
CHEMBL2106451
Created by admin on Fri Dec 15 16:02:34 UTC 2023 , Edited by admin on Fri Dec 15 16:02:34 UTC 2023
PRIMARY
INN
7826
Created by admin on Fri Dec 15 16:02:34 UTC 2023 , Edited by admin on Fri Dec 15 16:02:34 UTC 2023
PRIMARY
EVMPD
SUB02302MIG
Created by admin on Fri Dec 15 16:02:34 UTC 2023 , Edited by admin on Fri Dec 15 16:02:34 UTC 2023
PRIMARY
CAS
195612-80-7
Created by admin on Fri Dec 15 16:02:34 UTC 2023 , Edited by admin on Fri Dec 15 16:02:34 UTC 2023
PRIMARY
PUBCHEM
114759
Created by admin on Fri Dec 15 16:02:34 UTC 2023 , Edited by admin on Fri Dec 15 16:02:34 UTC 2023
PRIMARY