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Details

Stereochemistry ABSOLUTE
Molecular Formula C40H59NO11.CH4O3S
Molecular Weight 826.002
Optical Activity UNSPECIFIED
Defined Stereocenters 19 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Eribulin Mesylate

SMILES

CS(O)(=O)=O.[H][C@]12C[C@H]3O[C@H](C[C@@H](C)C3=C)CC[C@@H]4O[C@H](CC4=C)CC[C@@]56C[C@H]7O[C@H]8[C@@H](O5)[C@@]9([H])O[C@H](CC[C@]9([H])O[C@@]8([H])[C@H]7O6)CC(=O)C[C@@H]1[C@@H](OC)[C@@H](C[C@H](O)CN)O2

InChI

InChIKey=QAMYWGZHLCQOOJ-WRNBYXCMSA-N
InChI=1S/C40H59NO11.CH4O3S/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41;1-5(2,3)4/h19,23-39,43H,2-3,5-18,41H2,1,4H3;1H3,(H,2,3,4)/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Eribulin Mesylate
DASH   EMA EPAR   ORANGE BOOK   USAN   VANDF  
USAN  
Official Name English
NSC-707389
Code English
ERIBULIN MONOMETHANESULFONATE [MI]
Common Name English
11,15:18,21:24,28-Triepoxy-7,9-ethano-12,15-methano-9H,15H-furo[3,2-i]furo[2′,3′:5,6]pyrano[4,3-b][1,4]dioxacyclopentacosin-5(4H)-one, 2-[(2S)-3-amino-2-hydroxypropyl]hexacosahydro-3-methoxy-26-methyl-20,27-bis(methylene)-, (2R,3R,3aS,7R,8aS,9S,10aR,
Systematic Name English
ERIBULIN MESYLATE [ORANGE BOOK]
Common Name English
HALAVEN
Brand Name English
ERIBULIN MESYLATE [VANDF]
Common Name English
ERIBULIN MESILATE [MART.]
Common Name English
11,15:18,21:24,28-Triepoxy-7,9-ethano-12,15-methano-9H,15H-furo[3,2-i]furo[2′,3′:5,6]pyrano[4,3-b][1,4]dioxacyclopentacosin-5(4H)-one, 2-[(2S)-3-amino-2-hydroxypropyl]hexacosahydro-3-methoxy-26-methyl-20,27-bis(methylene)-, (2R,3R,3aS,7R,8aS,9S,10aR,
Systematic Name English
Eribulin mesilate [WHO-DD]
Common Name English
E-7389
Code English
ERIBULIN (AS MESYLATE)
Common Name English
ERIBULIN MESILATE [JAN]
Common Name English
ERIBULIN MESYLATE [USAN]
Common Name English
Eribulin Mesilate
JAN   MART.   WHO-DD  
JAN  
Official Name English
E7389
Code English
ERIBULIN MONOMETHANESULFONATE
MI  
Common Name English
ERIBULIN MESYLATE [EMA EPAR]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 367112
Created by admin on Fri Dec 15 16:29:16 UTC 2023 , Edited by admin on Fri Dec 15 16:29:16 UTC 2023
NCI_THESAURUS C67422
Created by admin on Fri Dec 15 16:29:16 UTC 2023 , Edited by admin on Fri Dec 15 16:29:16 UTC 2023
Code System Code Type Description
PUBCHEM
17755248
Created by admin on Fri Dec 15 16:29:16 UTC 2023 , Edited by admin on Fri Dec 15 16:29:16 UTC 2023
PRIMARY
FDA UNII
AV9U0660CW
Created by admin on Fri Dec 15 16:29:16 UTC 2023 , Edited by admin on Fri Dec 15 16:29:16 UTC 2023
PRIMARY
SMS_ID
100000115485
Created by admin on Fri Dec 15 16:29:16 UTC 2023 , Edited by admin on Fri Dec 15 16:29:16 UTC 2023
PRIMARY
RXCUI
1045452
Created by admin on Fri Dec 15 16:29:16 UTC 2023 , Edited by admin on Fri Dec 15 16:29:16 UTC 2023
PRIMARY RxNorm
NSC
707389
Created by admin on Fri Dec 15 16:29:16 UTC 2023 , Edited by admin on Fri Dec 15 16:29:16 UTC 2023
PRIMARY
USAN
RR-131
Created by admin on Fri Dec 15 16:29:16 UTC 2023 , Edited by admin on Fri Dec 15 16:29:16 UTC 2023
PRIMARY
CAS
441045-17-6
Created by admin on Fri Dec 15 16:29:15 UTC 2023 , Edited by admin on Fri Dec 15 16:29:15 UTC 2023
PRIMARY
DRUG BANK
DBSALT002427
Created by admin on Fri Dec 15 16:29:16 UTC 2023 , Edited by admin on Fri Dec 15 16:29:16 UTC 2023
PRIMARY
DAILYMED
AV9U0660CW
Created by admin on Fri Dec 15 16:29:16 UTC 2023 , Edited by admin on Fri Dec 15 16:29:16 UTC 2023
PRIMARY
NCI_THESAURUS
C26644
Created by admin on Fri Dec 15 16:29:16 UTC 2023 , Edited by admin on Fri Dec 15 16:29:16 UTC 2023
PRIMARY
CHEBI
70710
Created by admin on Fri Dec 15 16:29:15 UTC 2023 , Edited by admin on Fri Dec 15 16:29:15 UTC 2023
PRIMARY
MERCK INDEX
m4993
Created by admin on Fri Dec 15 16:29:16 UTC 2023 , Edited by admin on Fri Dec 15 16:29:16 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL1683590
Created by admin on Fri Dec 15 16:29:15 UTC 2023 , Edited by admin on Fri Dec 15 16:29:15 UTC 2023
PRIMARY
EVMPD
SUB31126
Created by admin on Fri Dec 15 16:29:15 UTC 2023 , Edited by admin on Fri Dec 15 16:29:15 UTC 2023
PRIMARY