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

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H40N2O12
Molecular Weight 656.6769
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LEURUBICIN

SMILES

[H][C@@]1(C[C@H](NC(=O)[C@@H](N)CC(C)C)[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(=O)CO

InChI

InChIKey=HROXIDVVXKDCBD-ZUWKMVCBSA-N
InChI=1S/C33H40N2O12/c1-13(2)8-17(34)32(43)35-18-9-22(46-14(3)27(18)38)47-20-11-33(44,21(37)12-36)10-16-24(20)31(42)26-25(29(16)40)28(39)15-6-5-7-19(45-4)23(15)30(26)41/h5-7,13-14,17-18,20,22,27,36,38,40,42,44H,8-12,34H2,1-4H3,(H,35,43)/t14-,17-,18-,20-,22-,27+,33-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
LEURUBICIN
INN  
INN  
Official Name English
(8S,10S)-10-((3-((S)-2-AMINO-4-METHYLVALERAMIDO)-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-8-GLYCOLOYL-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-5,12-NAPHTHACENEDIONE
Common Name English
leurubicin [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1594
Created by admin on Fri Dec 15 16:30:44 UTC 2023 , Edited by admin on Fri Dec 15 16:30:44 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID50991030
Created by admin on Fri Dec 15 16:30:44 UTC 2023 , Edited by admin on Fri Dec 15 16:30:44 UTC 2023
PRIMARY
NCI_THESAURUS
C81421
Created by admin on Fri Dec 15 16:30:44 UTC 2023 , Edited by admin on Fri Dec 15 16:30:44 UTC 2023
PRIMARY
ChEMBL
CHEMBL2106420
Created by admin on Fri Dec 15 16:30:44 UTC 2023 , Edited by admin on Fri Dec 15 16:30:44 UTC 2023
PRIMARY
FDA UNII
1Z20MGK851
Created by admin on Fri Dec 15 16:30:44 UTC 2023 , Edited by admin on Fri Dec 15 16:30:44 UTC 2023
PRIMARY
INN
6672
Created by admin on Fri Dec 15 16:30:44 UTC 2023 , Edited by admin on Fri Dec 15 16:30:44 UTC 2023
PRIMARY
SMS_ID
100000082800
Created by admin on Fri Dec 15 16:30:44 UTC 2023 , Edited by admin on Fri Dec 15 16:30:44 UTC 2023
PRIMARY
EVMPD
SUB08450MIG
Created by admin on Fri Dec 15 16:30:44 UTC 2023 , Edited by admin on Fri Dec 15 16:30:44 UTC 2023
PRIMARY
CAS
70774-25-3
Created by admin on Fri Dec 15 16:30:44 UTC 2023 , Edited by admin on Fri Dec 15 16:30:44 UTC 2023
PRIMARY
PUBCHEM
68897
Created by admin on Fri Dec 15 16:30:44 UTC 2023 , Edited by admin on Fri Dec 15 16:30:44 UTC 2023
PRIMARY