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

Details

Stereochemistry MIXED
Molecular Formula C24H15N3O3
Molecular Weight 393.3942
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SB-218078

SMILES

O=C1NC(=O)C2=C1C3=C4N(C5CCC(O5)N6C7=C(C=CC=C7)C2=C46)C8=C3C=CC=C8

InChI

InChIKey=OTPNDVKVEAIXTI-UHFFFAOYSA-N
InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)

HIDE SMILES / InChI

Molecular Formula C24H15N3O3
Molecular Weight 393.3942
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:39:27 GMT 2023
Edited
by admin
on Sat Dec 16 11:39:27 GMT 2023
Record UNII
S6U3J3UP11
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SB-218078
Common Name English
9,12-EPOXY-1H-DIINDOLO(1,2,3-FG:3',2',1'-KL)PYRROLO(3,4-I)(1,6)BENZODIAZOCINE-1,3(2H)-DIONE, 9,10,11,12-TETRAHYDRO-
Systematic Name English
9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO(1,2,3-FG:3',2',1'-KL)PYRROLO(3,4-I)(1,6)BENZODIAZOCINE-1,3(2H)-DIONE
Systematic Name English
Code System Code Type Description
PUBCHEM
3387354
Created by admin on Sat Dec 16 11:39:27 GMT 2023 , Edited by admin on Sat Dec 16 11:39:27 GMT 2023
PRIMARY
CAS
135897-06-2
Created by admin on Sat Dec 16 11:39:27 GMT 2023 , Edited by admin on Sat Dec 16 11:39:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID10392024
Created by admin on Sat Dec 16 11:39:27 GMT 2023 , Edited by admin on Sat Dec 16 11:39:27 GMT 2023
PRIMARY
FDA UNII
S6U3J3UP11
Created by admin on Sat Dec 16 11:39:27 GMT 2023 , Edited by admin on Sat Dec 16 11:39:27 GMT 2023
PRIMARY