Aspoxicillin

• CAS: 63358-49-6
• Catalog Number: ACM63358496
• Category: Others
• Molecular Weight: 493.54
• Molecular Formula: C21H27N5O7S
• Description: Aspoxicillin is classified under the β-lactam family of antibiotics.
• Synonyms: Aspoxicillin; TA 058; TA058; TA-058
• IUPAC Name: Glycinamide, N-methyl-D-asparaginyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-D-2-(4-hydroxyphenyl)-, (2S-(2-alpha,5-alpha,6-beta))-
• Canonical SMILES: O=C(N)[C@@H](C1=CC=C(O)C=C1)N(C([C@@H](CC(N)=O)NC)=O)[C@H]2[C@@]3([H])SC(C)(C)C(C(O)=O)N3C2=O
• InChI: InChI=1S/C21H27N5O7S/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25(17(30)11(24-3)8-12(22)28)13(16(23)29)9-4-6-10(27)7-5-9/h4-7,11,13-15,19,24,27H,8H2,1-3H3,(H2,22,28)(H2,23,29)(H,32,33)/t11-,13-,14-,15?,19-/m1/s1
• InChI Key: VTPLIRJKDMCHDS-INMKWRGYSA-N
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Shelf Life: >3 years if stored properly
• Storage: Dry, dark and at 0-4 °C for short term (days to weeks) or -20 °C for long term (months to years).
• Drug Formulation: This drug may be formulated in DMSO
• Elemental Analysis: C, 51.11; H, 5.51; N, 14.19; O, 22.69; S, 6.50
• Exact Mass: 493.1631
• Hazard Statements: Xi
• HS Tariff Code: 2934.99.9001
• Safety Description: 26
• Shipping: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
• Stock Solution Storage: 0-4 °C for short term (days to weeks), or -20 °C for long term (months).
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07

Custom Q&A

What is the molecular formula of aspoxicillin?

The molecular formula of aspoxicillin is C21H27N5O7S.

What is the molecular weight of aspoxicillin?

The molecular weight of aspoxicillin is 493.5 g/mol.

What is the IUPAC name of aspoxicillin?

The IUPAC name of aspoxicillin is (2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-amino-4-(methylamino)-4-oxobutanoyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.

What is the InChI of aspoxicillin?

The InChI of aspoxicillin is InChI=1S/C21H27N5O7S/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25-17(30)13(9-4-6-10(27)7-5-9)24-16(29)11(22)8-12(28)23-3/h4-7,11,13-15,19,27H,8,22H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,32,33)/t11-,13-,14-,15+,19-/m1/s1.

What is the PubChem CID of aspoxicillin?

The PubChem CID of aspoxicillin is 71961.

What is the CAS number of aspoxicillin?

The CAS number of aspoxicillin is 63358-49-6.

What is the ChEMBL ID of aspoxicillin?

The ChEMBL ID of aspoxicillin is CHEMBL1318150.

How does aspoxicillin work as an antibacterial?

Aspoxicillin binds to and inactivates penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall. This interrupts bacterial cell wall synthesis and weakens the bacterial cell wall, eventually causing cell lysis.

What is the hydrogen bond donor count of aspoxicillin?

The hydrogen bond donor count of aspoxicillin is 6.

What is the hydrogen bond acceptor count of aspoxicillin?

The hydrogen bond acceptor count of aspoxicillin is 9.