GREPAFLOXACIN HYDROCHLORIDE HYDRATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C19H22FN3O3.ClH.H2O
Molecular Weight	413.871
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of GREPAFLOXACIN HYDROCHLORIDE HYDRATE

Structure Search

SMILES

O.Cl.CC1CN(CCN1)C2=C(F)C(C)=C3C(=O)C(=CN(C4CC4)C3=C2)C(O)=O

InChI

InChIKey=OKWKWWPACPPJTK-UHFFFAOYSA-N

InChI=1S/C19H22FN3O3.ClH.H2O/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;1H2

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
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	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

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 `Sat Dec 16 02:14:54 UTC 2023` Edited by `admin` on `Sat Dec 16 02:14:54 UTC 2023`
Record UNII	5487J3Q1MN
Record Status	`Validated (UNII)`
Record Version