DQ-113

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H23F3N4O3
Molecular Weight	436.4275
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C2N(C=C(C(O)=O)C(=O)C2=C(N)C(F)=C1N3C[C@@H](F)[C@H](C3)C4(N)CC4)[C@@H]5C[C@@H]5F

InChI

InChIKey=QEYBPFUVEMVIQD-WUHRBBMRSA-N

InChI=1S/C21H23F3N4O3/c1-8-17-14(19(29)9(20(30)31)5-28(17)13-4-11(13)22)16(25)15(24)18(8)27-6-10(12(23)7-27)21(26)2-3-21/h5,10-13H,2-4,6-7,25-26H2,1H3,(H,30,31)/t10-,11-,12+,13+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H23F3N4O3
Molecular Weight	436.4275
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:39:41 GMT 2025` Edited by `admin` on `Tue Apr 01 16:39:41 GMT 2025`
Record UNII	9F4X7R2JPX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

D61-1113

Preferred Name

English

DQ-113

Code

English

3-QUINOLINECARBOXYLIC ACID, 5-AMINO-7-(3-(1-AMINOCYCLOPROPYL)-4-FLUORO-1-PYRROLIDINYL)-6-FLUORO-1-(2-FLUOROCYCLOPROPYL)-1,4-DIHYDRO-8-METHYL-4-OXO-, (3R-(1(1R*,2S*),3.ALPHA.,4.ALPHA.))-

Systematic Name

English

5-AMINO-7-((3R,4S)-3-(1-AMINOCYCLOPROPYL)-4-FLUORO-PYRROLIDIN-1-YL)-6-FLUORO-1-((1R,2S)-2-FLUOROCYCLOPROPYL)-8-METHYL-4-OXO-QUINOLINE-3-CARBOXYLIC ACID

Systematic Name

English

DQ113

Code

English

Code System Code Type Description

PUBCHEM

493409

Created by admin on Tue Apr 01 16:39:41 GMT 2025 , Edited by admin on Tue Apr 01 16:39:41 GMT 2025

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FDA UNII

9F4X7R2JPX

Created by admin on Tue Apr 01 16:39:41 GMT 2025 , Edited by admin on Tue Apr 01 16:39:41 GMT 2025

PRIMARY

CAS

190954-07-5

Created by admin on Tue Apr 01 16:39:41 GMT 2025 , Edited by admin on Tue Apr 01 16:39:41 GMT 2025

PRIMARY

Related Record Type Details


					9F4X7R2JPX

DQ-113

ACTIVE MOIETY

Comments:

The antibacterial activity of DQ-113, formerly D61-1113, was compared with those of antibacterial agents currently available. MICs at which 90% of the isolates tested are inhibited (MIC90s) of DQ-113 against clinical isolates of methicillin-susceptible and -resistant Staphylococcus aureus and methicillin-susceptible and -resistant coagulase-negative staphylococci were 0.03, 0.008, 0.03, and 0.06 μg/ml, respectively.