TBAJ-876

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H37BrN4O7
Molecular Weight	657.552
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(=CC(OC)=N1)[C@](O)(CCN(C)C)[C@@H](C2=CC3=C(C=CC(Br)=C3)N=C2OC)C4=CC(OC)=NC(OC)=C4OC

InChI

InChIKey=HHDDKDPLFXIPBX-DLFZDVPBSA-N

InChI=1S/C31H37BrN4O7/c1-36(2)12-11-31(37,19-15-24(38-3)34-25(16-19)39-4)27(21-17-26(40-5)35-30(43-8)28(21)41-6)22-14-18-13-20(32)9-10-23(18)33-29(22)42-7/h9-10,13-17,27,37H,11-12H2,1-8H3/t27-,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H37BrN4O7
Molecular Weight	657.552
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 `Sat Dec 16 15:21:23 UTC 2023` Edited by `admin` on `Sat Dec 16 15:21:23 UTC 2023`
Record UNII	OYN1GF5B1M
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TBAJ-876

Code

English

3-QUINOLINEETHANOL, 6-BROMO-.ALPHA.-(2,6-DIMETHOXY-4-PYRIDINYL)-.ALPHA.-(2-(DIMETHYLAMINO)ETHYL)-2-METHOXY-.BETA.-(2,3,6-TRIMETHOXY-4-PYRIDINYL)-, (.ALPHA.S,.BETA.R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

OYN1GF5B1M

Created by admin on Sat Dec 16 15:21:24 UTC 2023 , Edited by admin on Sat Dec 16 15:21:24 UTC 2023

PRIMARY

PUBCHEM

155510360

Created by admin on Sat Dec 16 15:21:24 UTC 2023 , Edited by admin on Sat Dec 16 15:21:24 UTC 2023

PRIMARY

PUBCHEM

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					R0EM8D5HFD

MYCOBACTERIUM TUBERCULOSIS

TARGET ORGANISM->INHIBITOR

Amount:

Related Record Type Details


					OYN1GF5B1M

TBAJ-876

ACTIVE MOIETY

Comments:

An inhibitor of mycobacterial ATP synthase.

Amount: