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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H18F3N3O3.ClH
Molecular Weight 453.842
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride

SMILES

Cl.C[C@H]1C[C@H](N)CN1C2=CC3=C(C=C2F)C(=O)C(=CN3C4=CC=C(F)C=C4F)C(O)=O

InChI

InChIKey=CDDGYQYMKFYFSM-JGAZGGJJSA-N
InChI=1S/C21H18F3N3O3.ClH/c1-10-4-12(25)8-26(10)19-7-18-13(6-16(19)24)20(28)14(21(29)30)9-27(18)17-3-2-11(22)5-15(17)23;/h2-3,5-7,9-10,12H,4,8,25H2,1H3,(H,29,30);1H/t10-,12-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
7-[(2S,4S)-4-amino-2-methylpyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
Systematic Name English
3-QUINOLINECARBOXYLIC ACID, 7-(4-AMINO-2-METHYL-1-PYRROLIDINYL)-1-(2,4-DIFLUOROPHENYL)-6-FLUORO-1,4-DIHYDRO-4-OXO-, MONOHYDROCHLORIDE, (2S-TRANS)-
Preferred Name English
Code System Code Type Description
CAS
114676-82-3
Created by admin on Mon Mar 31 22:19:22 GMT 2025 , Edited by admin on Mon Mar 31 22:19:22 GMT 2025
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FDA UNII
TY8E82X3L8
Created by admin on Mon Mar 31 22:19:22 GMT 2025 , Edited by admin on Mon Mar 31 22:19:22 GMT 2025
PRIMARY
PUBCHEM
3081065
Created by admin on Mon Mar 31 22:19:22 GMT 2025 , Edited by admin on Mon Mar 31 22:19:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID90875300
Created by admin on Mon Mar 31 22:19:22 GMT 2025 , Edited by admin on Mon Mar 31 22:19:22 GMT 2025
PRIMARY