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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H25N3O5
Molecular Weight 447.4831
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of GIMATECAN

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C(\C=N\OC(C)(C)C)C5=CC=CC=C5N=C34)C2=O

InChI

InChIKey=UIVFUQKYVFCEKJ-OPTOVBNMSA-N
InChI=1S/C25H25N3O5/c1-5-25(31)18-10-20-21-16(12-28(20)22(29)17(18)13-32-23(25)30)15(11-26-33-24(2,3)4)14-8-6-7-9-19(14)27-21/h6-11,31H,5,12-13H2,1-4H3/b26-11+/t25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H25N3O5
Molecular Weight 447.4831
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:15:16 UTC 2023
Edited
by admin
on Sat Dec 16 16:15:16 UTC 2023
Record UNII
7KKS9R192F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GIMATECAN
INN   MART.   WHO-DD  
INN  
Official Name English
Gimatecan [WHO-DD]
Common Name English
gimatecan [INN]
Common Name English
(4S)-11-((E)-((1,1-DIMETHYLETHOXY)IMINO)METHYL)-4-ETHYL-4-HYDROXY-1,12-DIHYDRO-14H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,14(4H)-DIONE
Systematic Name English
GIMATECAN [MART.]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1742
Created by admin on Sat Dec 16 16:15:17 UTC 2023 , Edited by admin on Sat Dec 16 16:15:17 UTC 2023
EU-Orphan Drug EU/3/03/174
Created by admin on Sat Dec 16 16:15:17 UTC 2023 , Edited by admin on Sat Dec 16 16:15:17 UTC 2023
NCI_THESAURUS C2843
Created by admin on Sat Dec 16 16:15:17 UTC 2023 , Edited by admin on Sat Dec 16 16:15:17 UTC 2023
Code System Code Type Description
PUBCHEM
9577124
Created by admin on Sat Dec 16 16:15:17 UTC 2023 , Edited by admin on Sat Dec 16 16:15:17 UTC 2023
PRIMARY
CAS
292618-32-7
Created by admin on Sat Dec 16 16:15:17 UTC 2023 , Edited by admin on Sat Dec 16 16:15:17 UTC 2023
PRIMARY
EVMPD
SUB35137
Created by admin on Sat Dec 16 16:15:17 UTC 2023 , Edited by admin on Sat Dec 16 16:15:17 UTC 2023
PRIMARY
NCI_THESAURUS
C65804
Created by admin on Sat Dec 16 16:15:17 UTC 2023 , Edited by admin on Sat Dec 16 16:15:17 UTC 2023
PRIMARY
FDA UNII
7KKS9R192F
Created by admin on Sat Dec 16 16:15:17 UTC 2023 , Edited by admin on Sat Dec 16 16:15:17 UTC 2023
PRIMARY
ChEMBL
CHEMBL113051
Created by admin on Sat Dec 16 16:15:17 UTC 2023 , Edited by admin on Sat Dec 16 16:15:17 UTC 2023
PRIMARY
INN
8116
Created by admin on Sat Dec 16 16:15:17 UTC 2023 , Edited by admin on Sat Dec 16 16:15:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID0057702
Created by admin on Sat Dec 16 16:15:17 UTC 2023 , Edited by admin on Sat Dec 16 16:15:17 UTC 2023
PRIMARY
DRUG BANK
DB06721
Created by admin on Sat Dec 16 16:15:17 UTC 2023 , Edited by admin on Sat Dec 16 16:15:17 UTC 2023
PRIMARY
SMS_ID
100000128292
Created by admin on Sat Dec 16 16:15:17 UTC 2023 , Edited by admin on Sat Dec 16 16:15:17 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> DERIVATIVE
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY