N-DIDESMETHYL BEDAQUILINE

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 Search

SMILES

COC1=NC2=CC=C(Br)C=C2C=C1[C@@H](C3=CC=CC=C3)[C@@](O)(CCN)C4=C5C=CC=CC5=CC=C4

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

Molecular Formula	C30H27BrN2O2
Molecular Weight	527.452
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:16:07 GMT 2025` Edited by `admin` on `Mon Mar 31 22:16:07 GMT 2025`
Record UNII	72A84E460J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-DIDESMETHYL BEDAQUILINE

Common Name

English

R-207910D

Preferred 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

Code System Code Type Description

PUBCHEM

76961808

Created by admin on Mon Mar 31 22:16:07 GMT 2025 , Edited by admin on Mon Mar 31 22:16:07 GMT 2025

PRIMARY

CAS

955404-04-3

Created by admin on Mon Mar 31 22:16:07 GMT 2025 , Edited by admin on Mon Mar 31 22:16:07 GMT 2025

PRIMARY

FDA UNII

72A84E460J

Created by admin on Mon Mar 31 22:16:07 GMT 2025 , Edited by admin on Mon Mar 31 22:16:07 GMT 2025

PRIMARY