AG00IMLQ

1847-24-1 | 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-, monosodium salt, (2S,5R,6R)-

AG00IMLQ

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CAS Number	1847-24-1
Catalog Number	AG00IMLQ(AGN-PC-0QDKJQ)
Chemical Name	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-, monosodium salt, (2S,5R,6R)-
EC Number	217-428-0
IUPAC Name	sodium;(2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
InChI	InChI=1S/C19H17ClFN3O5S.Na/c1-7-10(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;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);/q;+1/p-1/t13-,14+,17-;/m1./s1
InChI Key	OTEANHMVDHZOPB-SLINCCQESA-M
MDL Number	MFCD01682162
Molecular Formula	C19H16ClFN3NaO5S
Molecular Weight	475.8536
SMILES	O=C([C@@H](C(C)(C)S[C@]1([H])[C@@H]2NC(C3=C(C)ON=C3C4=C(F)C=CC=C4Cl)=O)N1C2=O)[O-].[Na+]
UNII	05F65O42VK
Synonyms	flucloxacillin sodium, 1847-24-1, Floxacillin sodium, Floxapen sodium, Flucloxacillin sodium salt, Floxacillin Na salt, Sodium flucloxacillin, Monosodium flucloxacillin, Stafopen sodium salt, Staphylex Sodium salt, MFI-PC, UNII-05F65O42VK, Floxacillin sodium salt, EINECS 217-428-0, Flucloxacillin-Sodium, NSC 277175, CHEBI:31615, 05F65O42VK, Floxapen (TN), 5-Methyl-3-(2-chloro-6-fluorophenyl)-4-isoxazolylpenicillin sodium, 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-, monosodium salt, (2S,5R,6R)-, Flucloxacillin sodium [JAN], 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-, monosodium salt, (2S-(2-alpha,5-alpha,6-beta))-, Sodium (2S-(2alpha,5alpha,6beta))-6-(((3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate, NSC277175, Staphylex Sodium, CAS-1847-24-1, (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]heptane-2-carboxylic Acid Sodium, C19H16ClFN3NaO5S, DSSTox_CID_25115, DSSTox_RID_80681, DSSTox_GSID_45115, SCHEMBL855084, CHEMBL283053, DTXSID6045115, HY-A0246A, BCP07050, sodium;(2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, Tox21_110054, BG0193, CF0058, MFCD01682108, AKOS015894891, API0002718, CS-7130, NCGC00014633-01, AC-22672, CC-28453, H970, LS-149762, D07965, C-22756, I06-180, W-107791, Flucloxacillin sodium, VETRANAL(TM), analytical standard, Flucloxacillin Sodium, Antibiotic for Culture Media Use Only, 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-, monosodium salt, (2S,5R,6R)-, sodium (2S,5R,6R)-6-(3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, sodium 6beta-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamido]-2,2-dimethylpenam-3alpha-carboxylate, Floxapen, FLOXACILLIN, C19H16ClFN3O5S.Na, C19H17ClFN3O5S.Na, Flucloxacillin sodium anhydrous, CID64705, C19-H16-Cl-F-N3-O5-S.Na, CS-O-04346, Flucloxacillin Sodium pound Sterile pound(c), 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-, monosodium salt, (2S-(2alpha,5alpha,6beta))-, 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-, monosodium salt, (2S,5R,6R)-, 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-, monosodium salt, [2S-(2.alpha.,5.alpha.,6.beta.)]-, Sodium [2S-(2alpha,5alpha,6beta)]-6-[[[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl]carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate,

Complexity	764
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	475.038g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	475.851g/mol
Monoisotopic Mass	475.038g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	141A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H317-H335
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

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