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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H27BrN2O2
Molecular Weight 527.452
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DIDESMETHYL BEDAQUILINE

SMILES

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

InChI

InChIKey=NJEYEDSQSKSUQT-PQHLKRTFSA-N
InChI=1S/C30H27BrN2O2/c1-35-29-25(19-22-18-23(31)14-15-27(22)33-29)28(21-9-3-2-4-10-21)30(34,16-17-32)26-13-7-11-20-8-5-6-12-24(20)26/h2-15,18-19,28,34H,16-17,32H2,1H3/t28-,30-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
N-DIDESMETHYL BEDAQUILINE
Common Name English
3-QUINOLINEETHANOL, .ALPHA.-(2-AMINOETHYL)-6-BROMO-2-METHOXY-.ALPHA.-1-NAPHTHALENYL-.BETA.-PHENYL-, (.ALPHA.S,.BETA.R)-
Systematic Name English
R207910-D
Code English
R-207910D
Code English
Code System Code Type Description
PUBCHEM
76961808
Created by admin on Sat Dec 16 08:42:58 GMT 2023 , Edited by admin on Sat Dec 16 08:42:58 GMT 2023
PRIMARY
CAS
955404-04-3
Created by admin on Sat Dec 16 08:42:58 GMT 2023 , Edited by admin on Sat Dec 16 08:42:58 GMT 2023
PRIMARY
FDA UNII
72A84E460J
Created by admin on Sat Dec 16 08:42:58 GMT 2023 , Edited by admin on Sat Dec 16 08:42:58 GMT 2023
PRIMARY