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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 of TBAJ-876

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 GMT 2023
Edited
by admin
on Sat Dec 16 15:21:23 GMT 2023
Record UNII
OYN1GF5B1M
Record Status Validated (UNII)
Record Version
  • Download
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 GMT 2023 , Edited by admin on Sat Dec 16 15:21:24 GMT 2023
PRIMARY
PUBCHEM
155510360
Created by admin on Sat Dec 16 15:21:24 GMT 2023 , Edited by admin on Sat Dec 16 15:21:24 GMT 2023
PRIMARY PUBCHEM
Related Record Type Details
TARGET ORGANISM->INHIBITOR
Related Record Type Details
ACTIVE MOIETY
An inhibitor of mycobacterial ATP synthase.