[(2,2-Dimethylpropanoyl)oxy]methyl (5R,6R)-6-[(E)-(1-azepanylmethylene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Basic Information

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CAS Number

32887-01-7

Molecular Formula

C21H33N3O5S

Molecular Weight

439.58 g/mol

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 Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

156°C

Boiling Point

550.6°C at 760 mmHg

Density

1.4400

Water Solubility

Soluble in water at approximately 1mg/ml

Flash Point

>110°(230°F)

Specific Rotation

D20 +285° (c = 1 in 0.1N HCl)

SMILES

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CC1(C(N2C(S1)C(C2=O)N=CN3CCCCCC3)C(=O)O)C

InChI

InChI=1S/C21H33N3O5S/c1-20(2,3)19(27)29-13-28-18(26)15-21(4,5)30-17-14(16(25)24(15)17)22-12-23-10-8-6-7-9-11-23/h12,14-15,17H,6-11,13H2,1-5H3/b22-12+/t14-,15?,17-/m1/s1

InChIKey

NPGNOVNWUSPMDP-LRKSUFLFSA-N

LogP

2.4116

Topological Polar Surface Area

88.51000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 8

Complexity

500

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

(2S,5R,6R)-6-[(azepan-1-ylmethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
AB01209740-01
DTXCID202584
NCGC00164583-02
Amdinocillin [USAN:USP]
(2S,5R,6R)-6-((E)-azepan-1-ylmethyleneamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Mecillinam (INN)
FS-4354
(2S,5R,6R)-6-(((E)-Azepan-1-ylmethylene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
NS00070557
Ro-10-9070
NCGC00164583-01
79580-20-4
Penicillin HX
MECILLINAM [MART.]
Amdinocillin (~85%)
Mecillinam
UNII-V10579P3QZ
(2S,5R,6R)-6-(((Hexahydro-1H-azepin-1-yl)methylene)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
(2S,5R,6R)-6-(((HEXAHYDRO-1H-AZEPIN-1-YL)METHYLENE)AMINO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID.
BRD-K41051431-001-01-6
MICILLINAM
Mecillinamum [INN-Latin]
AKOS022185296
Hexacillin
Mecillinamum
AMDINOCILLIN [MI]
Ro 10-9070
FL-1060
32887-01-7
CCG-100873

MDL Number

MFCD00056869

FAQ

What is [(2,2-Dimethylpropanoyl)oxy]methyl (5R,6R)-6-[(E)-(1-azepanylmethylene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 32887-01-7)?

This compound is a complex organic molecule with a unique structure that includes a thiazole ring, a substituted azabicyclo ring, and a carboxylate group. It is known for its distinct chemical properties and is used in pharmaceutical research for developing potential therapeutic agents.

What are the main uses of [(2,2-Dimethylpropanoyl)oxy]methyl (5R,6R)-6-[(E)-(1-azepanylmethylene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 32887-01-7)?

This compound is primarily used in pharmaceutical research for its potential in developing new drugs. It has shown promise in various therapeutic areas, including anti-inflammatory and anti-cancer studies.

Is [(2,2-Dimethylpropanoyl)oxy]methyl (5R,6R)-6-[(E)-(1-azepanylmethylene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 32887-01-7) safe?

This compound is generally safe when handled properly and with appropriate protective measures. It is important to follow safety guidelines and use proper personal protective equipment (PPE) to prevent skin and respiratory exposure.

How should [(2,2-Dimethylpropanoyl)oxy]methyl (5R,6R)-6-[(E)-(1-azepanylmethylene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (CAS: 32887-01-7) 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 and should not be exposed to moisture or air. Store it at a temperature between 15°C and 25°C (59°F and 77°F) to maintain its stability.