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

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H31BrN2O2
Molecular Weight 555.505
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BEDAQUILINE

SMILES

COC1=NC2=CC=C(Br)C=C2C=C1[C@@H](C3=CC=CC=C3)[C@@](O)(CCN(C)C)C4=CC=CC5=CC=CC=C45

InChI

InChIKey=QUIJNHUBAXPXFS-XLJNKUFUSA-N
InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BEDAQUILINE
DASH   INN   MI   USAN   VANDF   WHO-DD  
INN   USAN  
Official Name English
bedaquiline [INN]
Common Name English
(1R,2S) 6-BROMO-ALPHA-(2-(DIMETHYLAMINO)ETHYL)-2-METHOXY-ALPHA-(1-NAPHTHYL)-BETA-PHENYL-3-QUINOLINEETHANOL
Systematic Name English
BEDAQUILINE [VANDF]
Common Name English
TMC207
Code English
BEDAQUILINE [USAN]
Common Name English
(1R,2S)-1-(6-BROMO-2-METHOXYQUINOLIN-3-YL)-4-(DIMETHYLAMINO)-2-(NAPHTHALEN-1-YL)-1- PHENYLBUTAN-2-OL
Systematic Name English
3-QUINOLINEETHANOL, 6-BROMO-.ALPHA.-(2-(DIMETHYLAMINO)ETHYL)-2-METHOXY-.ALPHA.-1-NAPHTHALENYL-.BETA.-PHENYL-, (.ALPHA.S,.BETA.R)-
Common Name English
R-207910
Code English
TMC-207
Code English
BEDAQUILINE [MI]
Common Name English
R207910
Code English
Bedaquiline [WHO-DD]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 589917
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
NDF-RT N0000186775
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
WHO-VATC QJ04AK05
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
NCI_THESAURUS C280
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
WHO-ATC J04AK05
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
FDA ORPHAN DRUG 199304
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
LIVERTOX NBK548859
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL376488
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY
USAN
XX-135
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY
SMS_ID
100000126166
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY
DAILYMED
78846I289Y
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY
MERCK INDEX
m2288
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID80903989
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY
WIKIPEDIA
Bedaquiline
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY
EVMPD
SUB32824
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY
DRUG BANK
DB08903
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY
PUBCHEM
5388906
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY
DRUG CENTRAL
4741
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY
NCI_THESAURUS
C87658
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY
RXCUI
1364504
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY RxNorm
HSDB
8217
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY
EU-Orphan Drug
EU/3/05/314 POSITIVE
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY On 26 August 2005, orphan designation (EU/3/05/314) was granted by the European Commission to Tibotec Pharmaceuticals Ltd., Ireland, for (1R,2S)  6-bromo-alpha-[2-(dimethylamino)ethyl]-2-methoxy-alpha-(1-naphthyl)-beta-phenyl-3-quinolineethanol for the treatment of tuberculosis.
LACTMED
Bedaquiline
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY
CHEBI
72292
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY
NDF-RT
N0000186774
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY Diarylquinolines [Chemical/Ingredient]
INN
9316
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY
CAS
843663-66-1
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY
FDA UNII
78846I289Y
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY
MESH
C493870
Created by admin on Fri Dec 15 16:23:58 UTC 2023 , Edited by admin on Fri Dec 15 16:23:58 UTC 2023
PRIMARY