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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H16F2N2O4
Molecular Weight 398.3595
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIFLOMOTECAN

SMILES

CC[C@@]1(O)CC(=O)OCC2=C1C=C3N(CC4=CC5=CC(F)=C(F)C=C5N=C34)C2=O

InChI

InChIKey=LFQCJSBXBZRMTN-OAQYLSRUSA-N
InChI=1S/C21H16F2N2O4/c1-2-21(28)7-18(26)29-9-12-13(21)5-17-19-11(8-25(17)20(12)27)3-10-4-14(22)15(23)6-16(10)24-19/h3-6,28H,2,7-9H2,1H3/t21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H16F2N2O4
Molecular Weight 398.3595
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:29:48 UTC 2023
Edited
by admin
on Fri Dec 15 15:29:48 UTC 2023
Record UNII
QKT1LC4J1P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIFLOMOTECAN
INN   WHO-DD  
INN  
Official Name English
(5R)-5-ETHYL-9,10-DIFLUORO-1,4,5,13-TETRAHYDRO-5-HYDROXY-3H,15H-OXEPINO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,15-DIONE
Systematic Name English
Diflomotecan [WHO-DD]
Common Name English
diflomotecan [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2843
Created by admin on Fri Dec 15 15:29:48 UTC 2023 , Edited by admin on Fri Dec 15 15:29:48 UTC 2023
Code System Code Type Description
MESH
C424962
Created by admin on Fri Dec 15 15:29:48 UTC 2023 , Edited by admin on Fri Dec 15 15:29:48 UTC 2023
PRIMARY
SMS_ID
100000174969
Created by admin on Fri Dec 15 15:29:48 UTC 2023 , Edited by admin on Fri Dec 15 15:29:48 UTC 2023
PRIMARY
INN
7918
Created by admin on Fri Dec 15 15:29:48 UTC 2023 , Edited by admin on Fri Dec 15 15:29:48 UTC 2023
PRIMARY
FDA UNII
QKT1LC4J1P
Created by admin on Fri Dec 15 15:29:48 UTC 2023 , Edited by admin on Fri Dec 15 15:29:48 UTC 2023
PRIMARY
ChEMBL
CHEMBL306280
Created by admin on Fri Dec 15 15:29:48 UTC 2023 , Edited by admin on Fri Dec 15 15:29:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID201026358
Created by admin on Fri Dec 15 15:29:48 UTC 2023 , Edited by admin on Fri Dec 15 15:29:48 UTC 2023
PRIMARY
CAS
220997-97-7
Created by admin on Fri Dec 15 15:29:48 UTC 2023 , Edited by admin on Fri Dec 15 15:29:48 UTC 2023
PRIMARY
WIKIPEDIA
Diflomotecan
Created by admin on Fri Dec 15 15:29:48 UTC 2023 , Edited by admin on Fri Dec 15 15:29:48 UTC 2023
PRIMARY
PUBCHEM
219023
Created by admin on Fri Dec 15 15:29:48 UTC 2023 , Edited by admin on Fri Dec 15 15:29:48 UTC 2023
PRIMARY
NCI_THESAURUS
C90824
Created by admin on Fri Dec 15 15:29:48 UTC 2023 , Edited by admin on Fri Dec 15 15:29:48 UTC 2023
PRIMARY
CHEBI
144046
Created by admin on Fri Dec 15 15:29:48 UTC 2023 , Edited by admin on Fri Dec 15 15:29:48 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY