MOXIFLOXACIN HYDROCHLORIDE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H24FN3O4.ClH.H2O
Molecular Weight	455.908
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MOXIFLOXACIN HYDROCHLORIDE MONOHYDRATE

Structure Search

SMILES

O.Cl.[H][C@]12CN(C[C@@]1([H])NCCC2)C3=C(OC)C4=C(C=C3F)C(=O)C(=CN4C5CC5)C(O)=O

InChI

InChIKey=SKZIMSDWAIZNDD-WJMOHVQJSA-N

InChI=1S/C21H24FN3O4.ClH.H2O/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24;;/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28);1H;1H2/t11-,16+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C21H24FN3O4
Molecular Weight	401.4314
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:39:44 UTC 2023` Edited by `admin` on `Fri Dec 15 16:39:44 UTC 2023`
Record UNII	B8956S8609
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MOXIFLOXACIN HYDROCHLORIDE MONOHYDRATE

Common Name

English

7-((4AS,7AS)-OCTAHYDRO-1H-PYRROLO(3,4-B)PYRIDIN-6-YL)-1-CYCLOPROPYL-6-FLUORO-8-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID HYDRATE HYDROCHLORIDE

Common Name

English

MOXIFLOXACIN HYDROCHLORIDE [IP]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID1049063