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

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H35NO11.ClH
Molecular Weight 670.103
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BERUBICIN HYDROCHLORIDE

SMILES

Cl.[H][C@@]1(C[C@@](O)(CC2=C(O)C3=C(C(=O)C4=C(C=CC=C4OC)C3=O)C(O)=C12)C(=O)CO)O[C@H]5C[C@H](N)[C@H](OCC6=CC=CC=C6)[C@H](C)O5

InChI

InChIKey=GPMIHHFZKBVWAZ-LMMKTYIZSA-N
InChI=1S/C34H35NO11.ClH/c1-16-33(44-15-17-7-4-3-5-8-17)20(35)11-24(45-16)46-22-13-34(42,23(37)14-36)12-19-26(22)32(41)28-27(30(19)39)29(38)18-9-6-10-21(43-2)25(18)31(28)40;/h3-10,16,20,22,24,33,36,39,41-42H,11-15,35H2,1-2H3;1H/t16-,20-,22-,24-,33+,34-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BERUBICIN HYDROCHLORIDE
USAN   WHO-DD  
USAN  
Official Name English
RTA-744
Code English
BERUBICIN HYDROCHLORIDE [USAN]
Common Name English
BERUBICIN HCL
Common Name English
5,12-NAPHTHACENEDIONE, 10-((3-AMINO-2,3,6-TRIDEOXY-4-O-(PHENYLMETHYL)-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(HYDROXYACETYL)-1-METHOXY-, (8S,10S)-, HYDROCHLORIDE
Common Name English
(8S,10S)-10-(((2R,4S,5S,6S)-4-AMINO-5-(BENZYLOXY)-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL)OXY)-8-GLYCOLOYL-6,8,11-TRIHYDROXY-1-METHOXY-7,8,9,10-TETRAHYDROTETRACENE-5,12-DIONE HYDROCHLORIDE
Common Name English
RTA 744
Code English
WP744
Code English
Berubicin hydrochloride [WHO-DD]
Common Name English
WP-744
Code English
Classification Tree Code System Code
NCI_THESAURUS C1594
Created by admin on Fri Dec 15 15:56:20 UTC 2023 , Edited by admin on Fri Dec 15 15:56:20 UTC 2023
FDA ORPHAN DRUG 227606
Created by admin on Fri Dec 15 15:56:20 UTC 2023 , Edited by admin on Fri Dec 15 15:56:20 UTC 2023
Code System Code Type Description
SMS_ID
300000029091
Created by admin on Fri Dec 15 15:56:20 UTC 2023 , Edited by admin on Fri Dec 15 15:56:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID10951913
Created by admin on Fri Dec 15 15:56:20 UTC 2023 , Edited by admin on Fri Dec 15 15:56:20 UTC 2023
PRIMARY
NCI_THESAURUS
C61568
Created by admin on Fri Dec 15 15:56:20 UTC 2023 , Edited by admin on Fri Dec 15 15:56:20 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110580
Created by admin on Fri Dec 15 15:56:20 UTC 2023 , Edited by admin on Fri Dec 15 15:56:20 UTC 2023
PRIMARY
USAN
TT-08
Created by admin on Fri Dec 15 15:56:20 UTC 2023 , Edited by admin on Fri Dec 15 15:56:20 UTC 2023
PRIMARY
PUBCHEM
9874591
Created by admin on Fri Dec 15 15:56:20 UTC 2023 , Edited by admin on Fri Dec 15 15:56:20 UTC 2023
PRIMARY
CAS
293736-67-1
Created by admin on Fri Dec 15 15:56:20 UTC 2023 , Edited by admin on Fri Dec 15 15:56:20 UTC 2023
PRIMARY
DRUG BANK
DB05920
Created by admin on Fri Dec 15 15:56:20 UTC 2023 , Edited by admin on Fri Dec 15 15:56:20 UTC 2023
PRIMARY
FDA UNII
7BA3X03948
Created by admin on Fri Dec 15 15:56:20 UTC 2023 , Edited by admin on Fri Dec 15 15:56:20 UTC 2023
PRIMARY