Login

Sodium (2S,5R,6R)-6-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (1:1:1) | CAS No. 642-78-4

Sodium (2S,5R,6R)-6-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (1:1:1)

Basic Information

Chemical_Structure_Of
View in Editor

CAS Number

642-78-4

Molecular Formula

C19H19ClN3NaO6S

Molecular Weight

457.9 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
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
Agricultural Chemicals Pesticides Herbicides
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

170°C

Water Solubility

Soluble in water

Solubility

H2O: 50 mg/mL, clear, colorless

SMILES

View in Editor

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H18ClN3O5S.Na.H2O/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1

InChIKey

KCUWTKOTPIUBRI-VICXVTCVSA-M

LogP

1.54280

Complexity

728

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
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

Stability

Stable. Incompatible with strong oxidizing agents. Refrigerate.

Synonyms & References

English

  • 61-72-3 (free acid)
  • CCG-40259
  • MWQ645MKMF
  • Gelstaph
  • Sodium, Cloxacillin
  • Cloxacillin, Sodium
  • Prostaphilin A
  • sodium 2,2-dimethyl-6beta-(((5-methyl-3-(2-chlorophenyl)isoxazol-4-yl)carbonyl)amino)penam-3alpha-carboxylate
  • Dariclox
  • cloxacillinsodium
  • DTXSID4045551
  • BRL-1621 sodium salt
  • SCHEMBL41013
  • CLOXACILLIN SODIUM (USP IMPURITY)
  • Prostaphlin A
  • Cloxacillin sodium
  • Sodium syntarpen
  • HMS2234C11
  • 642-78-4
  • 7081-44-9 (.H2O)
  • BRL 1621 sodium salt
  • C2244
  • Prevencilina P
  • EINECS 211-390-9
  • Staphybiotic
  • CLOXACILLIN SODIUM (USP-RS)
  • HMS2095F13
  • sodium;(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • HMS502E18
  • CLOXACILLIN SODIUM SALT ANHYDROUS
  • Q27122558

MDL Number

MFCD00063568

Customs Code

2941109900

FAQ

What is Sodium (2S,5R,6R)-6-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (1:1:1) (CAS: 642-78-4)?
Sodium (2S,5R,6R)-6-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (1:1:1) is a complex organic compound with a specific stereochemistry. It features a unique structure with a central azabicyclic ring system and a 2-chlorophenyl substituent. This compound is primarily used in pharmaceutical applications and research due to its chemical properties.

What are the main uses of Sodium (2S,5R,6R)-6-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (1:1:1) (CAS: 642-78-4)?
This compound is mainly used in the development and production of pharmaceuticals, particularly as an intermediate in the synthesis of other drug molecules. It is also utilized in research settings for its specific chemical properties and structural features.

Is Sodium (2S,5R,6R)-6-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (1:1:1) (CAS: 642-78-4) safe?
While Sodium (2S,5R,6R)-6-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (1:1:1) is generally safe under controlled conditions, it is important to follow all safety guidelines and handle it with appropriate personal protective equipment (PPE). Exposure to skin or inhalation should be avoided.

How should Sodium (2S,5R,6R)-6-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (1:1:1) (CAS: 642-78-4) be stored?
This compound should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Adequate ventilation is recommended to minimize the risk of vapor inhalation. Handling should be done with care, and the storage area should be well-labeled for easy identification.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...

Supplier Information

Linhai Wenshifac Trade Co., Ltd.

CAS Number: 642-78-4

View Details

HuBeiZhongLongKangChengJingXi Chemical Co Ltd

CAS Number: 642-78-4

View Details
Sodium (2S,5R,6R)-6-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (1:1:1) — Shanghai Jixiang Biotechnology Co., Ltd.

Shanghai Jixiang Biotechnology Co., Ltd.

CAS Number: 642-78-4

View Details
Sodium (2S,5R,6R)-6-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (1:1:1) — Shanghai Yuyeh Biotechnology Co., Ltd.

Shanghai Yuyeh Biotechnology Co., Ltd.

CAS Number: 642-78-4

View Details

ShangHaiAiDie Industrial Co Ltd

CAS Number: 642-78-4

View Details

Shanghai Kewei Chemical Technology Co., Ltd.

CAS Number: 642-78-4

View Details
Sodium (2S,5R,6R)-6-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrate (1:1:1) — Shanghai Analytical Rocky Experimental Technology Co., Ltd.

Shanghai Analytical Rocky Experimental Technology Co., Ltd.

CAS Number: 642-78-4

View Details

ZhuHaiJingJiTeOuHaiLiLai Co Ltd

CAS Number: 642-78-4

View Details

Guangdong Yangcheng Great Health Pharmaceutical Co., Ltd.

CAS Number: 642-78-4

View Details

Jiangsu Pules Bio-tech Co.,Ltd

CAS Number: 642-78-4

View Details

Jiangsu Rufen Synthetic Technology Co., Ltd.

CAS Number: 642-78-4

View Details

Angentech (Shanghai) Co., Ltd.

CAS Number: 642-78-4

View Details

Wuhan HuJiu Medicine Technology Co., Ltd.

CAS Number: 642-78-4

View Details

WuHanLuoShiHuaGongKeJi Development Co Ltd

CAS Number: 642-78-4

View Details

Zhejiang Hudie Dye Chemical Co., Ltd.

CAS Number: 642-78-4

View Details

This website uses cookies to ensure basic functionality and enhance your experience. We use:

  • Essential cookies: Required for core site features (authentication, security). These cannot be disabled.
  • Analytics cookies: Help us understand site usage to improve our service.

You can change your preferences at any time in our Privacy Settings. See our Privacy Policy for more details.