6-APA flucloxacillin amide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H27ClFN5O7S2
Molecular Weight	652.114
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(C(=O)N[C@@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)N[C@H]4[C@H]5SC(C)(C)[C@@H](N5C4=O)C(O)=O)C(=NO1)C6=C(Cl)C=CC=C6F

InChI

InChIKey=VEFFBSLINBSZNK-VTPJZENASA-N

InChI=1S/C27H27ClFN5O7S2/c1-9-12(14(32-41-9)13-10(28)7-6-8-11(13)29)19(35)30-15-21(37)33-17(26(2,3)42-23(15)33)20(36)31-16-22(38)34-18(25(39)40)27(4,5)43-24(16)34/h6-8,15-18,23-24H,1-5H3,(H,30,35)(H,31,36)(H,39,40)/t15-,16-,17+,18+,23-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H27ClFN5O7S2
Molecular Weight	652.114
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:47:03 GMT 2025` Edited by `admin` on `Wed Apr 02 16:47:03 GMT 2025`
Record UNII	YHQ4W556RC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FLUCLOXACILLIN MAGNESIUM OCTAHYDRATE IMPURITY E [EP IMPURITY]

Preferred Name

English

6-APA flucloxacillin amide

Common Name

English

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[(2S,5R,6R)-6-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-yl]carbonyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-

Systematic Name

English

(2S,5R,6R)-6-[[[(2S,5R,6R)-6-[[[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl]carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-yl]carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systematic Name

English

FLUCLOXACILLIN SODIUM MONOHYDRATEIMPURITY E [EP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

125283434

Created by admin on Wed Apr 02 16:47:04 GMT 2025 , Edited by admin on Wed Apr 02 16:47:04 GMT 2025

PRIMARY

FDA UNII

YHQ4W556RC

Created by admin on Wed Apr 02 16:47:04 GMT 2025 , Edited by admin on Wed Apr 02 16:47:04 GMT 2025

PRIMARY

CAS

2924817-37-6

Created by admin on Wed Apr 02 16:47:04 GMT 2025 , Edited by admin on Wed Apr 02 16:47:04 GMT 2025

PRIMARY

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