Cefamandole nafate

Basic Information

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CAS Number

42540-40-9

Molecular Formula

C19H17N6NaO6S2

Molecular Weight

512.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

190-193°C

Water Solubility

Freely soluble in water. Sparingly soluble in methanol

SMILES

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CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)OC=O)SC2)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H18N6O6S2.Na/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10;/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30);/q;+1/p-1/t12-,14-,17-;/m1./s1

InChIKey

ICZOIXFFVKYXOM-YCLOEFEOSA-M

LogP

-0.41490

pKa

2.6-3.0(at 25℃)

Complexity

844

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

sodium (6R,7R)-7-(((2R)-2-(formyloxy)-2-phenylacetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)sulfanyl)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate
UNII-8HDO7941DO
Cefamandol nafato
CEFAMANDOLE NAFATE [VANDF]
42540-40-9
Cefamandole nafate (USAN:USP:INN:BAN)
Cefaseptolo
NSC-299588
Cefamandole Nafate sodium
NCGC00183035-01
GS-3575
CAS-42540-40-9
cemandil sodium salt
CEFAMANDOLE NAFATE (MART.)
CHEMBL1618
O-Formylcefamandole sodium
NSC 299588
CEFAMANDOLE NAFATE [EP MONOGRAPH]
8HDO7941DO
CEFAMANDOLE NAFATE [MI]
Z3041521791
Kefadol
Bergacef
DTXSID2022751
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((FORMYLOXY)PHENYLACETYL)AMINO)-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-, MONOSODIUM SALT, (6R-(6alpha,7beta(R*)))
AKOS015961133
Neocefal
CS-4768
CEFAMANDOLE NAFATE [ORANGE BOOK]
NS00089630
Cedol

MDL Number

MFCD00864877

Customs Code

3003201900

FAQ

What are the physical and chemical properties of Cefamandole nafate (CAS: 42540-40-9)?

Cefamandole nafate (CAS: 42540-40-9) is a crystalline compound with a molecular weight of approximately 482.5 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol. Chemically, it is relatively stable but can react with strong acids or bases. It is used in pharmaceutical formulations for its antimicrobial properties.

How is Cefamandole nafate (CAS: 42540-40-9) typically synthesized?

Cefamandole nafate (CAS: 42540-40-9) is synthesized through a multi-step process involving the acylation of a specific intermediate. The synthesis typically requires strong acids as catalysts and involves selective reactions to ensure the formation of the desired product. The overall yield is around 80%, with high selectivity towards the desired product.

What industries use Cefamandole nafate (CAS: 42540-40-9)?

Cefamandole nafate (CAS: 42540-40-9) is primarily used in the pharmaceutical industry for the production of antibiotics. It is incorporated into various antimicrobial formulations to treat bacterial infections. While not commonly used in other industries, it may have applications in research and development for new drug compounds.

What precautions should be taken when handling Cefamandole nafate (CAS: 42540-40-9)?

When handling Cefamandole nafate (CAS: 42540-40-9), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Operations should be conducted in a well-ventilated area or fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents, and the area should be thoroughly washed with water. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.