p-Nitrobenzyl (5R,6S)-2-(diphenylphosphoryloxy)-6-((1R)-1-hydroxyethyl)carbapen-2-em-3-carboxylate is a complex chemical compound with a carbapenem ring, which is a class of broad-spectrum antibiotics. The molecule also features a nitrobenzyl group, a phosphoryloxy group, and a hydroxyethyl group, indicating its potential reactivity and applications in medicinal chemistry for the development of new pharmaceuticals with specific biological activities.
442847-66-7
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Basic information
- Product Name: p-Nitrobenzyl (5R,6S)-2-(diphenylphosphoryloxy)-6-((1R)-1-hydroxyethyl)carbapen-2-em-3-carboxylate
- Synonyms: (5r,6s)-3-[(diphenoxyphosphinyl)oxy]-6-[(1r)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester;IMIPENEM INTERMEDIATE;N-METHYLPYRROLIDINONESOLVATE;P-NITROBENZYL (1R,5R,6S)-6-[(1R)-1-HYDROXYETHYL]-2-[(DIPHENYLPHOSPHONO)OXY]-CARBAPEN-2-EM-3-CARBOXYLATE;PROTECTED THIENCIN HYDROCHLORIDE;THIENAMYCIN P-NITROBENZYL ESTER HYDROCHLORIDE;thienamycin p-nitrobenzylester hydrochloride (n-methylpyrrolidinonesolvate);(5R,6S)-3-(2-AMINO-ETHYLSULFANYL)-6-((R)-1-HYDROXY-ETHYL)-7-OXO-1-AZA-BICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID 4-NITRO-BENZYL ESTER, HYDROCHLORIDE
- CAS NO:442847-66-7
- Molecular Formula: C18H22ClN3O6S
- Molecular Weight: 443.9
- EINECS: N/A
- Product Categories: N/A
- Mol File: 442847-66-7.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 645.5°C at 760 mmHg
- Flash Point: 344.2°C
- Appearance: /
- Density: 1.49
- Vapor Pressure: 1.51E-17mmHg at 25°C
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: p-Nitrobenzyl (5R,6S)-2-(diphenylphosphoryloxy)-6-((1R)-1-hydroxyethyl)carbapen-2-em-3-carboxylate(CAS DataBase Reference)
- NIST Chemistry Reference: p-Nitrobenzyl (5R,6S)-2-(diphenylphosphoryloxy)-6-((1R)-1-hydroxyethyl)carbapen-2-em-3-carboxylate(442847-66-7)
- EPA Substance Registry System: p-Nitrobenzyl (5R,6S)-2-(diphenylphosphoryloxy)-6-((1R)-1-hydroxyethyl)carbapen-2-em-3-carboxylate(442847-66-7)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 442847-66-7(Hazardous Substances Data)
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442847-66-7 Usage
Uses
Used in Pharmaceutical Industry:p-Nitrobenzyl (5R,6S)-2-(diphenylphosphoryloxy)-6-((1R)-1-hydroxyethyl)carbapen-2-em-3-carboxylate is used as a precursor in the synthesis of new antibiotics due to its carbapenem ring structure, which provides broad-spectrum antimicrobial activity against various bacteria.
Used in Medicinal Chemistry Research:
p-Nitrobenzyl (5R,6S)-2-(diphenylphosphoryloxy)-6-((1R)-1-hydroxyethyl)carbapen-2-em-3-carboxylate serves as a valuable molecule for research in medicinal chemistry, where its unique structure and functional groups can be explored for the development of pharmaceuticals with specific biological activities, such as targeting enzymes involved in phosphorylation processes.
Used in Drug Design and Development:
p-Nitrobenzyl (5R,6S)-2-(diphenylphosphoryloxy)-6-((1R)-1-hydroxyethyl)carbapen-2-em-3-carboxylate is utilized in drug design and development to create novel pharmaceuticals with improved properties, such as enhanced bioavailability, selectivity, and reduced side effects, by leveraging its reactive functional groups and complex structure.
Check Digit Verification of cas no
The CAS Registry Mumber 442847-66-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,4,2,8,4 and 7 respectively; the second part has 2 digits, 6 and 6 respectively.Calculate Digit Verification of CAS Registry Number 442847-66:
(8*4)+(7*4)+(6*2)+(5*8)+(4*4)+(3*7)+(2*6)+(1*6)=167
167 % 10 = 7
So 442847-66-7 is a valid CAS Registry Number.
InChI:InChI=1/C18H21N3O6S.ClH/c1-10(22)15-13-8-14(28-7-6-19)16(20(13)17(15)23)18(24)27-9-11-2-4-12(5-3-11)21(25)26;/h2-5,10,13,15,22H,6-9,19H2,1H3;1H/t10-,13-,15-;/m1./s1
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442847-66-7Downstream Products
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p-Nitrobenzyl (5R,6S)-2-(diphenylphosphoryloxy)-6-((1R)-1-hydroxyethyl)carbapen-2-em-3-carboxylate
