U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22FN3O3.ClH
Molecular Weight 395.856
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GREPAFLOXACIN HYDROCHLORIDE, (R)-

SMILES

Cl.C[C@@H]1CN(CCN1)C2=C(F)C(C)=C3C(=O)C(=CN(C4CC4)C3=C2)C(O)=O

InChI

InChIKey=IEPMBYOIQGCVHO-HNCPQSOCSA-N
InChI=1S/C19H22FN3O3.ClH/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12;/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26);1H/t10-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula C19H22FN3O3
Molecular Weight 359.3947
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:06:15 UTC 2023
Edited
by admin
on Sat Dec 16 11:06:15 UTC 2023
Record UNII
V2W7W7YB4G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GREPAFLOXACIN HYDROCHLORIDE, (R)-
Common Name English
3-QUINOLINECARBOXYLIC ACID, 1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-5-METHYL-7-(3-METHYL-1-PIPERAZINYL)-4-OXO-, HYDROCHLORIDE (1:1), (R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
66957887
Created by admin on Sat Dec 16 11:06:15 UTC 2023 , Edited by admin on Sat Dec 16 11:06:15 UTC 2023
PRIMARY
FDA UNII
V2W7W7YB4G
Created by admin on Sat Dec 16 11:06:15 UTC 2023 , Edited by admin on Sat Dec 16 11:06:15 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER