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Details

Stereochemistry ACHIRAL
Molecular Formula C25H21N3O6.ClH
Molecular Weight 495.912
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INDIMITECAN HYDROCHLORIDE

SMILES

Cl.COC1=C(OC)C=C2C(=O)N(CCCN3C=CN=C3)C4=C(C(=O)C5=C4C=C6OCOC6=C5)C2=C1

InChI

InChIKey=VZCPAXRDLDYWBE-UHFFFAOYSA-N
InChI=1S/C25H21N3O6.ClH/c1-31-18-8-14-17(11-19(18)32-2)25(30)28(6-3-5-27-7-4-26-12-27)23-15-9-20-21(34-13-33-20)10-16(15)24(29)22(14)23;/h4,7-12H,3,5-6,13H2,1-2H3;1H

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
INDIMITECAN HYDROCHLORIDE
Common Name English
5H-(1,3)DIOXOLO(4',5':5,6)INDENO(1,2-C)ISOQUINOLINE-5,12(6H)-DIONE, 6-(3-(1H-IMIDAZOL-1-YL)PROPYL)-2,3-DIMETHOXY-, HYDROCHLORIDE (1:1)
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C2843
Created by admin on Fri Dec 15 17:15:50 UTC 2023 , Edited by admin on Fri Dec 15 17:15:50 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID30238612
Created by admin on Fri Dec 15 17:15:50 UTC 2023 , Edited by admin on Fri Dec 15 17:15:50 UTC 2023
PRIMARY
FDA UNII
898F769796
Created by admin on Fri Dec 15 17:15:50 UTC 2023 , Edited by admin on Fri Dec 15 17:15:50 UTC 2023
PRIMARY
CAS
915303-04-7
Created by admin on Fri Dec 15 17:15:50 UTC 2023 , Edited by admin on Fri Dec 15 17:15:50 UTC 2023
PRIMARY
PUBCHEM
45027820
Created by admin on Fri Dec 15 17:15:50 UTC 2023 , Edited by admin on Fri Dec 15 17:15:50 UTC 2023
PRIMARY
NCI_THESAURUS
C95906
Created by admin on Fri Dec 15 17:15:50 UTC 2023 , Edited by admin on Fri Dec 15 17:15:50 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of INDIMITECAN
NIH
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