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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27N3O3
Molecular Weight 369.4574
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BULAQUINE, (S)-

SMILES

COC1=CC(N[C@@H](C)CCCN\C(C)=C2\CCOC2=O)=C3N=CC=CC3=C1

InChI

InChIKey=ADCOUXIGWFEYJP-JZYMCLRRSA-N
InChI=1S/C21H27N3O3/c1-14(6-4-9-22-15(2)18-8-11-27-21(18)25)24-19-13-17(26-3)12-16-7-5-10-23-20(16)19/h5,7,10,12-14,22,24H,4,6,8-9,11H2,1-3H3/b18-15-/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H27N3O3
Molecular Weight 369.4574
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 10:27:07 GMT 2023
Edited
by admin
on Sat Dec 16 10:27:07 GMT 2023
Record UNII
8A762V1ZNF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BULAQUINE, (S)-
Common Name English
2(3H)-FURANONE, DIHYDRO-3-(1-((4-((6-METHOXY-8-QUINOLINYL)AMINO)PENTYL)AMINO)ETHYLIDENE)-, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
8A762V1ZNF
Created by admin on Sat Dec 16 10:27:07 GMT 2023 , Edited by admin on Sat Dec 16 10:27:07 GMT 2023
PRIMARY
PUBCHEM
76970578
Created by admin on Sat Dec 16 10:27:07 GMT 2023 , Edited by admin on Sat Dec 16 10:27:07 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER