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Cefotam

CAS: 64485-93-4 | C16H17N5NaO7S2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 64485-93-4
Molecular Formula: C16H17N5NaO7S2
Molecular Weight: 478.4640000000001 g/mol

Names and Synonyms:

Cefotam
Cefoxim
Ceftim
Ceftop
Cefotaxime Sodium
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-, sodium salt (1:1), (6R,7R)-
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-, monosodium salt, [6R-[6α,7β(Z)]]-
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-8-oxo-, monosodium salt, (6R,7R)-
HR 756
RU 24756
Cefotaxime sodium salt
Cefotaxime sodium
(+)-Cefotaxime sodium salt
Tolycar
Sodium cefotaxime
Chemcef
Pretor
Cefotax
Oritaxim
Biotax
Cefantral
Novatax
Cefomerc
Sefagen
Clafora
Baxim
Biolog
Bioxim
CefSo
Cefacron
Cefcan
Cefomed
Cefomerk
Cefon
Ceftoringe
Cefronate
Calcef
Claftax
Clavox
Califrid
Eaxiron
Elkotak
Epotazime
Evotaxime
Excef
Forax
Fortax
Zafixime

Identifiers:

SMILES:
CO/N=C(C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1.[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);/b20-9-;/t10-,14-;/m1./s1

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 478.46 g/mol Legacy Database
cas-canonical-smile [Na].O=C(O)C1=C(COC(=O)C)CSC2N1C(=O)C2NC(=O)C(=NOC)C=3N=C(SC3)N None Legacy Database
cas-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);/b20-9-;/t10-,14-;/m1./s1 None Legacy Database
cas-inchi-key InChIKey=UWNYOXHAYFLGIE-JUZDKLSSSA-N None Legacy Database
cas-name Cefotaxime sodium None Legacy Database
LogP -0.33262999999999837 RDKit

Molecular

Property Value Source
Molecular Weight 478.4640000000001 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 478.04670916400005 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 31 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 10 count RDKit
Hydrogen Bond Donors 4 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 7 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 177.73 Ų RDKit

Molar

Property Value Source
Molar Refractivity 112.06300000000003 RDKit

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