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Dicloxacillin

CAT: 1299-RM-D091000-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D091000-02Size:25 mg
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CAS Number
3116-76-5
Synonyms
(2S,5R,6R) -6- (3- (2,6-dichlorophenyl) -5-methylisoxazole-4-carboxamido) -3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Formula
C19H17Cl2N3O5S
Molecular Weight
470.32
Target Alternative Name
Dicloxacillin
Product Name Synonym
(2S,5R,6R) -6- (3- (2,6-dichlorophenyl) -5-methylisoxazole-4-carboxamido) -3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Chemical Information

Dicloxacillin

Dicloxacillin is a penicillin that is 6-aminopenicillanic acid in which one of the amino hydrogens is replaced by a 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formyl group. It has a role as an antibacterial drug. It is a penicillin and a dichlorobenzene. It is a conjugate acid of a dicloxacillin(1-).

CAS Number3116-76-5
PubChem CID18381
IUPAC Name(2S,5R,6R)-6-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC19H17Cl2N3O5S
Molecular Weight470.3
XLogP2.9
Topological Polar Surface Area138
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity746
SMILES
CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O
InChI
InChI=1S/C19H17Cl2N3O5S/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)/t13-,14+,17-/m1/s1
InChIKey
YFAGHNZHGGCZAX-JKIFEVAISA-N
Chemical Structure
2D Structure
2D structure of Dicloxacillin
CAS: 3116-76-5
CID: 18381
Formula: C19H17Cl2N3O5S
MW: 470.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.3
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass469.0265972
Monoisotopic Mass469.0265972
Topological Polar Surface Area138 Ų
Heavy Atom Count30
Formal Charge0
Complexity746
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5773039Dicloxacillin
B1930-10000Dicloxacillin Sodium
20-1085Dicloxacillin antibody
CS-O-64598Dicloxacillin-d6
CS-O-06543Dicloxacillin-13C4
HY-B1459-01Dicloxacillin (sodium)
81094DiCloxacillin Supplement
HY-B1459ARDicloxacillin (Standard)

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