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Details

Stereochemistry RACEMIC
Molecular Formula C21H27N3O3
Molecular Weight 369.4574
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BULAQUINE

SMILES

COC1=CC(NC(C)CCCN\C(C)=C2\CCOC2=O)=C3N=CC=CC3=C1

InChI

InChIKey=ADCOUXIGWFEYJP-SDXDJHTJSA-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-

HIDE SMILES / InChI
Molecular Formula C21H27N3O3
Molecular Weight 369.4574
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:11:31 UTC 2023
Edited
by admin
on Sat Dec 16 17:11:31 UTC 2023
Record UNII
TSQ6U39Q3G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BULAQUINE
INN   WHO-DD  
INN  
Official Name English
AABLAQUINE
Brand Name English
Bulaquine [WHO-DD]
Common Name English
bulaquine [INN]
Common Name English
DIHYDRO-3-(1-((4-((6-METHOXY-8-QUINOLYL)AMINO)PENTYL)AMINO)ETHYLIDENE)-2(3H)-FURANONE
Systematic Name English
ELUBAQUINE
Common Name English
CDRI 80/53
Code English
2(3H)-FURANONE, DIHYDRO-3-(1-((4-((6-METHOXY-8-QUINOLINYL)AMINO)PENTYL)AMINO)ETHYLIDENE)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C271
Created by admin on Sat Dec 16 17:11:32 UTC 2023 , Edited by admin on Sat Dec 16 17:11:32 UTC 2023
Code System Code Type Description
SMS_ID
100000084833
Created by admin on Sat Dec 16 17:11:32 UTC 2023 , Edited by admin on Sat Dec 16 17:11:32 UTC 2023
PRIMARY
ChEMBL
CHEMBL2106578
Created by admin on Sat Dec 16 17:11:32 UTC 2023 , Edited by admin on Sat Dec 16 17:11:32 UTC 2023
PRIMARY
NCI_THESAURUS
C75997
Created by admin on Sat Dec 16 17:11:32 UTC 2023 , Edited by admin on Sat Dec 16 17:11:32 UTC 2023
PRIMARY
PUBCHEM
9831444
Created by admin on Sat Dec 16 17:11:32 UTC 2023 , Edited by admin on Sat Dec 16 17:11:32 UTC 2023
PRIMARY
FDA UNII
TSQ6U39Q3G
Created by admin on Sat Dec 16 17:11:32 UTC 2023 , Edited by admin on Sat Dec 16 17:11:32 UTC 2023
PRIMARY
CAS
79781-00-3
Created by admin on Sat Dec 16 17:11:32 UTC 2023 , Edited by admin on Sat Dec 16 17:11:32 UTC 2023
PRIMARY
INN
7927
Created by admin on Sat Dec 16 17:11:32 UTC 2023 , Edited by admin on Sat Dec 16 17:11:32 UTC 2023
PRIMARY
CAS
223661-25-4
Created by admin on Sat Dec 16 17:11:32 UTC 2023 , Edited by admin on Sat Dec 16 17:11:32 UTC 2023
SUPERSEDED
MESH
C063469
Created by admin on Sat Dec 16 17:11:32 UTC 2023 , Edited by admin on Sat Dec 16 17:11:32 UTC 2023
PRIMARY
EPA CompTox
DTXSID8040983
Created by admin on Sat Dec 16 17:11:32 UTC 2023 , Edited by admin on Sat Dec 16 17:11:32 UTC 2023
PRIMARY
DRUG CENTRAL
425
Created by admin on Sat Dec 16 17:11:32 UTC 2023 , Edited by admin on Sat Dec 16 17:11:32 UTC 2023
PRIMARY
EVMPD
SUB00894MIG
Created by admin on Sat Dec 16 17:11:32 UTC 2023 , Edited by admin on Sat Dec 16 17:11:32 UTC 2023
PRIMARY
Related Record Type Details
Structure of BULAQUINE, (R)-
ENANTIOMER -> RACEMATE
Structure of BULAQUINE, (S)-
ENANTIOMER -> RACEMATE
Related Record Type Details
Structure of PRIMAQUINE
METABOLITE ACTIVE -> PRODRUG
Related Record Type Details
Structure of PRIMAQUINE
ACTIVE MOIETY
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