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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H26N2O7.ClH
Molecular Weight 514.955
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INDOTECAN HYDROCHLORIDE

SMILES

Cl.COC1=C(OC)C=C2C(=O)N(CCCN3CCOCC3)C4=C(C(=O)C5=C4C=C6OCOC6=C5)C2=C1

InChI

InChIKey=XOLMUSQONFNQQM-UHFFFAOYSA-N
InChI=1S/C26H26N2O7.ClH/c1-31-19-10-15-18(13-20(19)32-2)26(30)28(5-3-4-27-6-8-33-9-7-27)24-16-11-21-22(35-14-34-21)12-17(16)25(29)23(15)24;/h10-13H,3-9,14H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C26H26N2O7
Molecular Weight 478.4938
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:43:01 UTC 2023
Edited
by admin
on Fri Dec 15 17:43:01 UTC 2023
Record UNII
M806X3659K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INDOTECAN HYDROCHLORIDE
Common Name English
NSC-743400
Code English
5H-(1,3)DIOXOLO(5,6)INDENO(1,2-C)ISOQUINOLINE-5,12(6H)-DIONE, 2,3-DIMETHOXY-6-(3-(4-MORPHOLINYL)PROPYL)-, HYDROCHLORIDE (1:1)
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2843
Created by admin on Fri Dec 15 17:43:01 UTC 2023 , Edited by admin on Fri Dec 15 17:43:01 UTC 2023
Code System Code Type Description
PUBCHEM
25113758
Created by admin on Fri Dec 15 17:43:01 UTC 2023 , Edited by admin on Fri Dec 15 17:43:01 UTC 2023
PRIMARY
NCI_THESAURUS
C95908
Created by admin on Fri Dec 15 17:43:01 UTC 2023 , Edited by admin on Fri Dec 15 17:43:01 UTC 2023
PRIMARY
CAS
1228035-68-4
Created by admin on Fri Dec 15 17:43:01 UTC 2023 , Edited by admin on Fri Dec 15 17:43:01 UTC 2023
PRIMARY
EPA CompTox
DTXSID00153722
Created by admin on Fri Dec 15 17:43:01 UTC 2023 , Edited by admin on Fri Dec 15 17:43:01 UTC 2023
PRIMARY
NSC
743400
Created by admin on Fri Dec 15 17:43:01 UTC 2023 , Edited by admin on Fri Dec 15 17:43:01 UTC 2023
PRIMARY
FDA UNII
M806X3659K
Created by admin on Fri Dec 15 17:43:01 UTC 2023 , Edited by admin on Fri Dec 15 17:43:01 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY