benzhydryl (6R,7S)-7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Basic Information

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CAS Number

56610-72-1

Molecular Formula

C24H24N6O4S2

Molecular Weight

524.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

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

120°C

Boiling Point

743.2°C at 760 mmHg

Density

1.5

Flash Point

743.2 ºC at 760 mmHg

Refractive Index

1.733

Vapor Pressure

0.0±2.5 mmHg at 25°C

SMILES

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CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(N)OC)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H24N6O4S2/c1-29-23(26-27-28-29)36-14-17-13-35-22-24(25,33-2)21(32)30(22)18(17)20(31)34-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,19,22H,13-14,25H2,1-2H3/t22-,24-/m1/s1

InChIKey

QGXKMJVEULWQSB-ISKFKSNPSA-N

LogP

2.1056

Topological Polar Surface Area

125.46000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 10

Complexity

848

Safety Information

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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

Synonyms & References

English

BCP06776
Diphenylmethyl (6R,7S)-7-amino-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
7
7MAC
SCHEMBL4712325
A-Amino-7
UNII-7SSG9SDN2A
C24H24N6O4S2
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, diphenylmethyl ester, (6R,7S)-
7beta-Amino-7alpha-methoxy-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid Diphenylmethyl Es
Diphenylmethyl (6R,7S)-7-Amino-7-methoxy-3-[(1-methyl-1H-tetrazol-5-yl)thiomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
7-MAC
AKOS015919841
Diphenylmethyl 7beta-amino-7alpha-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-3-cephem-4-carboxylate
DTXSID50512224
benzhydryl (6R,7S)-7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
M2129
(6R,7S)-BENZHYDRYL 7-AMINO-7-METHOXY-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE
7-beta-Amino-7-alpha-methoxy-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid Diphenylmethyl Ester
AS-14610
MFCD08704705
DIPHENYLMETHYL 7.BETA.-AMINO-7.ALPHA.-METHOXY-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-3-CEPHEM-4-CARBOXYLATE
A-methoxy-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid Diphenylmethyl Ester
7beta-amino-7alpha-methoxy-3-[(1-methyl-1H-tetrazol-5-yl)S-methyl]-3-cephalosporin-en-4-carboxylic acid diphenyl methyl ester
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, diphenylmethyl ester, (6R-cis)-
CID 12882026
56610-72-1
(6r,7s)-benzhydryl-7-amino-7-methoxy-3-((1-methyl-1h-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-aza-bicyclo [4.2.0]oct-2-ene-2-carboxylate
Diphenylmethyl 7beta-Amino-7alpha-methoxy-3-[(1-methyl-1H-tetrazol-5-yl)thiomethyl]-3-cephem-4-carboxylate
7SSG9SDN2A
AC-557

MDL Number

MFCD08704705

FAQ

What is benzhydryl (6R,7S)-7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 56610-72-1)?

Benzhydryl (6R,7S)-7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 56610-72-1) is a complex organic compound containing a benzhydryl group and a bicyclic structure with functional groups such as amino, methoxy, and thio. It is known for its potential applications in medicinal chemistry due to its structural complexity and functional diversity. The compound exhibits specific solubility and reactivity properties that make it relevant in pharmaceutical research.

What are the main uses of benzhydryl (6R,7S)-7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 56610-72-1)?

This compound is primarily used in pharmaceutical research as a potential lead molecule for drug development. Its unique structure may be relevant in the synthesis of compounds targeting specific biological pathways, especially those involving enzymes or receptors. It is also used in chemical synthesis and as a reagent in organic chemistry for developing new compounds with therapeutic applications.

Is benzhydryl (6R,7S)-7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 56610-72-1) safe?

Safety data for this compound is limited, but as with many complex organic compounds, it should be handled with care. Proper protective equipment, including gloves and goggles, is recommended during handling. It is important to follow standard laboratory safety protocols to minimize exposure risks. Safety assessments should be conducted in accordance with regulatory guidelines to ensure appropriate use in research and development.

How should benzhydryl (6R,7S)-7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 56610-72-1) be stored?

This compound should be stored in a cool, dry, and dark place, away from moisture and direct light. It is recommended to keep it in a sealed container at a temperature below 25°C. Storage conditions should be controlled to maintain its chemical stability and prevent degradation. Proper labeling and storage in a well-ventilated area are also essential for safety.