(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Basic Information

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CAS Number

87-08-1

Molecular Formula

C16H18N2O5S

Molecular Weight

350.4 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

Basic Physical Properties

Melting Point

120-1280C (dec)

Density

1.3121 (rough estimate)

Refractive Index

1.6510 (estimate)

SMILES

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CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O

InChI

InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1

InChIKey

BPLBGHOLXOTWMN-MBNYWOFBSA-N

LogP

0.6970999999999998

Topological Polar Surface Area

95.94000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

547

Safety Information

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Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Synonyms & References

English

Penicillin V
Phenoxymethylpenicillin
PENICILLIN V ACID,BP2003
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
6-phenoxyacetamidopenicillanic acid
Beromycin
Fenospen
Oracillin
Penicillin phenoxymethyl
penicillin VK
penicillin-V
Phenocillin
Phenomycilline
Phenopenicillin
V-Cillin

MDL Number

MFCD00070096

Customs Code

3003101300

FAQ

What is (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 87-08-1)?

It is a chemical compound with the CAS number 87-08-1. This compound is a cyclic amine with a thiazolidine structure. It is used in pharmaceutical applications due to its pharmacological properties.

What are the main uses of (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 87-08-1)?

This compound is primarily used in the pharmaceutical industry for its biological activities, particularly in the development of antithrombotic agents and other therapeutic applications.

Is (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 87-08-1) safe?

The compound is generally considered safe when handled according to safety guidelines. It is important to follow all safety precautions and use appropriate protective equipment such as gloves and goggles during handling and storage.

How should (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS: 87-08-1) 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 and contamination. Storage at room temperature is recommended to ensure stability.