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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C19H16ClFN3O5S.Mg
Molecular Weight 930.033
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLUCLOXACILLIN MAGNESIUM ANHYDROUS

SMILES

[Mg++].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=C(C)ON=C3C4=C(F)C=CC=C4Cl)C([O-])=O.[H][C@]56SC(C)(C)[C@@H](N5C(=O)[C@H]6NC(=O)C7=C(C)ON=C7C8=C(F)C=CC=C8Cl)C([O-])=O

InChI

InChIKey=LYQDZCZZTPNAIP-VZHMHXRYSA-L
InChI=1S/2C19H17ClFN3O5S.Mg/c2*1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;/h2*4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);/q;;+2/p-2/t2*13-,14+,17-;/m11./s1

HIDE SMILES / InChI

Molecular Formula C19H16ClFN3O5S
Molecular Weight 452.864
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Mg
Molecular Weight 24.305
Charge 2
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 21:48:45 UTC 2023
Edited
by admin
on Fri Dec 15 21:48:45 UTC 2023
Record UNII
1L80I8UP9C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLUCLOXACILLIN MAGNESIUM ANHYDROUS
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(((3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLYL)CARBONYL)AMINO)-3,3-DIMETHYL-7-OXO-, MAGNESIUM COMPLEX, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-
Common Name English
Flucloxacillin magnesium [WHO-DD]
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-(((3-(2-CHLORO-6-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLYL)CARBONYL)AMINO)-3,3-DIMETHYL-7-OXO-, (2S(2.ALPHA.,5.ALPHA.,6.BETA.)), MAGNESIUM SALT
Common Name English
FLOXACILLIN MAGNESIUM ANHYDROUS
Common Name English
Code System Code Type Description
FDA UNII
1L80I8UP9C
Created by admin on Fri Dec 15 21:48:45 UTC 2023 , Edited by admin on Fri Dec 15 21:48:45 UTC 2023
PRIMARY
SMS_ID
100000086990
Created by admin on Fri Dec 15 21:48:45 UTC 2023 , Edited by admin on Fri Dec 15 21:48:45 UTC 2023
PRIMARY
EPA CompTox
DTXSID60193184
Created by admin on Fri Dec 15 21:48:45 UTC 2023 , Edited by admin on Fri Dec 15 21:48:45 UTC 2023
PRIMARY
CAS
40182-54-5
Created by admin on Fri Dec 15 21:48:45 UTC 2023 , Edited by admin on Fri Dec 15 21:48:45 UTC 2023
PRIMARY
PUBCHEM
44250927
Created by admin on Fri Dec 15 21:48:45 UTC 2023 , Edited by admin on Fri Dec 15 21:48:45 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY