DQ-113 HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H23F3N4O3.ClH
Molecular Weight	472.888
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.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=VPWKQGUBFNTFLA-WZQXUVPTSA-N

InChI=1S/C21H23F3N4O3.ClH/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);1H/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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:39:42 GMT 2025` Edited by `admin` on `Tue Apr 01 16:39:42 GMT 2025`
Record UNII	HE5FSL3K2H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DQ-113 HYDROCHLORIDE

Common Name

English

DQ-113 MONOHCL

Preferred 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 HYDROCHLORIDE

Systematic Name

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-, MONOHYDROCHLORIDE, (3R-(1(1R*,2S*),3.ALPHA.,4.ALPHA.))-

Systematic Name

English

Code System Code Type Description

PUBCHEM

9826102

Created by admin on Tue Apr 01 16:39:42 GMT 2025 , Edited by admin on Tue Apr 01 16:39:42 GMT 2025

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CAS

190954-08-6

Created by admin on Tue Apr 01 16:39:42 GMT 2025 , Edited by admin on Tue Apr 01 16:39:42 GMT 2025

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FDA UNII

HE5FSL3K2H

Created by admin on Tue Apr 01 16:39:42 GMT 2025 , Edited by admin on Tue Apr 01 16:39:42 GMT 2025

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