SITAFLOXACIN MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H18ClF2N3O3.H2O
Molecular Weight	427.83
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.N[C@@H]1CN(CC12CC2)C3=C(Cl)C4=C(C=C3F)C(=O)C(=CN4[C@@H]5C[C@@H]5F)C(O)=O

InChI

InChIKey=ANCJYRJLOUSQBW-JJZGMWGRSA-N

InChI=1S/C19H18ClF2N3O3.H2O/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19;/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28);1H2/t10-,12+,13+;/m0./s1

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	C19H18ClF2N3O3
Molecular Weight	409.814
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:25:41 UTC 2023` Edited by `admin` on `Fri Dec 15 15:25:41 UTC 2023`
Record UNII	45IP57B62B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SITAFLOXACIN MONOHYDRATE

Common Name

English

3-QUINOLINECARBOXYLIC ACID, 7-((7S)-7-AMINO-5-AZASPIRO(2.4)HEPT-5-YL)-8-CHLORO-6-FLUORO-1-((1R,2S)-2-FLUOROCYCLOPROPYL)-1,4-DIHYDRO-4-OXO-, HYDRATE (1:1)

Common Name

English

3-QUINOLINECARBOXYLIC ACID, 7-(7-AMINO-5-AZASPIRO(2.4)HEPT-5-YL)-8-CHLORO-6-FLUORO-1-(2-FLUOROCYCLOPROPYL)-1,4-DIHYDRO-4-OXO-, MONOHYDRATE, (1R-(1.ALPHA.(S*),2.ALPHA.))-

Common Name

English

Code System Code Type Description

FDA UNII

45IP57B62B

Created by admin on Fri Dec 15 15:25:41 UTC 2023 , Edited by admin on Fri Dec 15 15:25:41 UTC 2023

PRIMARY

CAS

163253-37-0

Created by admin on Fri Dec 15 15:25:41 UTC 2023 , Edited by admin on Fri Dec 15 15:25:41 UTC 2023

PRIMARY

PUBCHEM

6918203

Created by admin on Fri Dec 15 15:25:41 UTC 2023 , Edited by admin on Fri Dec 15 15:25:41 UTC 2023

PRIMARY

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