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Cefotaxime

CAT: 1596-AR-C05623-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C05623-02Size:25 Units
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CAS Number
63527-52-6
Synonyms
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[ (acetyloxy) methyl]-7-[[ (2Z) -2- (2-amino-4-thiazolyl) -2- (methoxyimino) acetyl]amino]-8-oxo-, (6R,7R) -
Molecular Formula
C16H17N5O7S2
Molecular Weight
455.47
API Name
Cefotaxime

Chemical Information

Cefotaxime

Cefotaxime is a cephalosporin compound having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups. It has a role as an antibacterial drug and a drug allergen. It is a cephalosporin, an oxime O-ether and a member of 1,3-thiazoles. It is a conjugate acid of a cefotaxime(1-).

CAS Number63527-52-6
PubChem CID5742673
IUPAC Name(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC16H17N5O7S2
Molecular Weight455.5
XLogP-1.4
Topological Polar Surface Area227
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity833
SMILES
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/C3=CSC(=N3)N)SC1)C(=O)O
InChI
InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1
InChIKey
GPRBEKHLDVQUJE-QSWIMTSFSA-N
Chemical Structure
2D Structure
2D structure of Cefotaxime
CAS: 63527-52-6
CID: 5742673
Formula: C16H17N5O7S2
MW: 455.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.5
XLogP3-1.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass455.05694025
Monoisotopic Mass455.05694025
Topological Polar Surface Area227 Ų
Heavy Atom Count30
Formal Charge0
Complexity833
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1012-500Cefotaxime
RM-C202456-01Cefotaxime Impurity 30 (Cefotaxime S-Oxide)
C39SD1043Cefotaxime (Cephotaxime)

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