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Cefotaxime . sodium salt

CAT: 1106-ALX-380-271-G001Size: 1 gDry Ice: NoHazardous: No
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CAT#:1106-ALX-380-271-G001Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64485-93-4
Certification
RUO
Stability
As indicated on product label or CoA when stored as recommended.
Purity
≥95% (HPLC)
Solubility
Soluble in water (>50mg/ml) .
Molecular Formula
C 16 H 16 N 5 O 7 S 2 . Na
Molecular Weight
454.5 . 23.0
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Appearance
White to light yellow powder.
RTECS
XI0250000
Identity
Determined by 1H-NMR and LC-MS.

Chemical Information

Cefotaxime Sodium

Cefotaxime sodium is a cephalosporin organic sodium salt having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side-groups. It contains a cefotaxime(1-).

CAS Number64485-93-4
PubChem CID10695961
IUPAC Namesodium (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-carboxylate
Molecular FormulaC16H16N5NaO7S2
Molecular Weight477.5
Topological Polar Surface Area230
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity839
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-].[Na+]
InChI
InChI=1S/C16H17N5O7S2.Na/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);/q;+1/p-1/b20-9-;/t10-,14-;/m1./s1
InChIKey
AZZMGZXNTDTSME-JUZDKLSSSA-M
Chemical Structure
2D Structure
2D structure of Cefotaxime Sodium
CAS: 64485-93-4
CID: 10695961
Formula: C16H16N5NaO7S2
MW: 477.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight477.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass477.03888450
Monoisotopic Mass477.03888450
Topological Polar Surface Area230 Ų
Heavy Atom Count31
Formal Charge0
Complexity839
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes