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Details

Stereochemistry ACHIRAL
Molecular Formula C19H12N2O
Molecular Weight 284.3114
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KLB-3

SMILES

O=C1C2=C(C=CC=C2)C3=NN=C4CCC5=CC=CC=C5C4=C13

InChI

InChIKey=JRPTUWBXRMQHRP-UHFFFAOYSA-N
InChI=1S/C19H12N2O/c22-19-14-8-4-3-7-13(14)18-17(19)16-12-6-2-1-5-11(12)9-10-15(16)20-21-18/h1-8H,9-10H2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
11,12-DIAZAPENTACYCLO(11.8.0.0(2,10).0(4,9).0(16,21))HENICOSA-1(13),2(10),4(9),5,7,11,16(21),17,19-NONAEN-3-ONE
Preferred Name English
KLB-3
Common Name English
13H-BENZ(F)INDENO(1,2-C)CINNOLIN-13-ONE, 5,6-DIHYDRO-
Systematic Name English
5,6-DIHYDRO-13H-BENZ(F)INDENO(1,2-C)CINNOLIN-13-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
J3XA9HB374
Created by admin on Mon Mar 31 22:39:47 GMT 2025 , Edited by admin on Mon Mar 31 22:39:47 GMT 2025
PRIMARY
PUBCHEM
44350355
Created by admin on Mon Mar 31 22:39:47 GMT 2025 , Edited by admin on Mon Mar 31 22:39:47 GMT 2025
PRIMARY
CAS
147508-66-5
Created by admin on Mon Mar 31 22:39:47 GMT 2025 , Edited by admin on Mon Mar 31 22:39:47 GMT 2025
PRIMARY
SUBSTANCE RECORD
Structure of KLB-3
NIH
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