Sodium (2S,5R,6R)-6-[(2-ethoxy-1-naphthoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (1:1:1)

Basic Information

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CAS Number

7177-50-6

Molecular Formula

C21H23N2NaO6S

Molecular Weight

454.5 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

Boiling Point

714.1°C at 760 mmHg

Density

1.4200

Flash Point

385.7 °C

Solubility

H2O: soluble50mg/mL

SMILES

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CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].O.[Na+]

InChI

InChI=1S/C21H22N2O5S.Na.H2O/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);;1H2/q;+1;/p-1/t15-,16+,19-;;/m1../s1

InChIKey

OCXSDHJRMYFTMA-KMFBOIRUSA-M

LogP

1.41360

Complexity

705

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

NAFCILLIN SODIUM [USP-RS]
BCP17430
SCHEMBL65687
Nafcillin sodium monohydrate
NCGC00017070-01
Nafcillin sodium monohydrate 100 microg/mL in Acetonitrile
Naphthicillin
985-16-0 (anhydrous)
CL 8491
49G3001BCK
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2-ethoxy-1-naphthalenyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, monohydrate, (2S-(2alpha,5alpha,6beta))-
NAFCILLIN SODIUM
Nafcillin sodium [USAN:USP]
Nafcillin sodium microg/mL in Acetonitrile
MLS002222166
NSC 757108
D82069
Tox21_110767
MLS001077264
NAFCILLIN SODIUM [MART.]
UNII-49G3001BCK
CHEBI:51919
HMS3714J07
Unipen (TN)
Nafcil
NAFCILLIN SODIUM MONOHYDRATE [MART.]
WY-3277
(2S,5R,6R)-6-[[(2-Ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid sodium salt
Nafcillin sodium salt monohydrate
Nafcillin natrium-1-wasser
Wy 3277

MDL Number

MFCD00056863

FAQ

What regulatory guidelines apply to Sodium (2S,5R,6R)-6-[(2-ethoxy-1-naphthoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (1:1:1) (CAS: 7177-50-6)?

This compound is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for classification and labelling. In Europe, the compound must comply with REACH regulations for registration, evaluation, authorization, and restriction of chemicals. In the USA, the FDA and EPA may have specific requirements related to its use and disposal in pharmaceutical and environmental contexts.

Are there alternatives to Sodium (2S,5R,6R)-6-[(2-ethoxy-1-naphthoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (CAS: 7177-50-6) in synthesis?

While this specific compound is unique, chemists may explore naphthoyl analogs or other dimethylated aza-bicyclic compounds as alternatives in synthesis. Common substitutes include other naphthoyl amides and similar aza-bicyclic derivatives.

What is the market or research trend for Sodium (2S,5R,6R)-6-[(2-ethoxy-1-naphthoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (CAS: 7177-50-6)?

Research trends for this compound suggest increasing interest in its use as a pharmaceutical intermediate. Market dynamics indicate potential growth in demand for related compounds due to advancements in drug discovery and development. However, detailed market analysis and trends should be based on specific industry reports and publications.

How should waste containing Sodium (2S,5R,6R)-6-[(2-ethoxy-1-naphthoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (CAS: 7177-50-6) be handled?

Waste containing this compound should be collected in appropriate containers and labeled. Proper incineration or professional waste disposal services are recommended for safe disposal. Environmental protection precautions include ensuring no release into the environment and following local and regulatory guidelines for hazardous waste management.