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Details

Stereochemistry EPIMERIC
Molecular Formula C18H19ClFN3O4S
Molecular Weight 427.878
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Penilloic acids of flucloxacillin

SMILES

CC1=C(C(=O)NCC2N[C@H](C(O)=O)C(C)(C)S2)C(=NO1)C3=C(Cl)C=CC=C3F

InChI

InChIKey=GBFSDMWQIFGGKS-JOPIAHFSSA-N
InChI=1S/C18H19ClFN3O4S/c1-8-12(14(23-27-8)13-9(19)5-4-6-10(13)20)16(24)21-7-11-22-15(17(25)26)18(2,3)28-11/h4-6,11,15,22H,7H2,1-3H3,(H,21,24)(H,25,26)/t11?,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H19ClFN3O4S
Molecular Weight 427.878
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:33:35 GMT 2023
Edited
by admin
on Sat Dec 16 19:33:35 GMT 2023
Record UNII
URL2JTC2GE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Penilloic acids of flucloxacillin
Common Name English
(2RS,4S)-2-[[[[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl]carbonyl]amino]methyl]-5,5-dimethylthiazolidine-4-carboxylic acid
Common Name English
FLUCLOXACILLIN MAGNESIUM OCTAHYDRATE IMPURITY B [EP IMPURITY]
Common Name English
(4R)-2-[[[[3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]methyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid
Common Name English
FLUCLOXACILLIN SODIUM MONOHYDRATE IMPURITY B [EP IMPURITY]
Common Name English
4-Thiazolidinecarboxylic acid, 2-[[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]methyl]-5,5-dimethyl-
Common Name English
Code System Code Type Description
PUBCHEM
168429492
Created by admin on Sat Dec 16 19:33:35 GMT 2023 , Edited by admin on Sat Dec 16 19:33:35 GMT 2023
PRIMARY
CAS
2125725-83-7
Created by admin on Sat Dec 16 19:33:35 GMT 2023 , Edited by admin on Sat Dec 16 19:33:35 GMT 2023
PRIMARY
FDA UNII
URL2JTC2GE
Created by admin on Sat Dec 16 19:33:35 GMT 2023 , Edited by admin on Sat Dec 16 19:33:35 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY