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Peptides

Aspoxicillin

Also known as Aspoxicilina, Aspoxicilline, Doyle

CAS 63358-49-6Formula C21H27N5O7SMolar mass 493.54 g/molEC 634-698-9
GHS signal word: Warning. Pictograms: Harmful or irritant 1 supplier listed
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Aspoxicillin chemical structure, C21H27N5O7S, CAS 63358-49-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
63358-49-6
Formula
C21H27N5O7S
Molar mass
493.54 g/mol
EC number
634-698-9
HS code
294110
Category
Peptides

What is Aspoxicillin?

Plain description, key identifiers and synonyms

Aspoxicillin is a peptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(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
CAS number
63358-49-6 CAS number cross-checked
EC number
634-698-9
Molecular formula
C21H27N5O7S
UNII
0745KNO26J
InChIKey
BHELIUBJHYAEDK-OAIUPTLZSA-N
InChI
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
Canonical SMILES
CNC(=O)CC(N)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O)c1ccc(O)cc1
Isomeric SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)NC(=O)[C@@H](CC(=O)NC)N)C(=O)O)C

Synonyms

  • Aspoxicilina
  • Aspoxicilline
  • Doyle
  • Aspoxicillinum
  • N(4)-methyl-D-asparaginylamoxicillin
  • Aspoxicillan
  • Doyle (TN)
  • Aspoxicillin (>80%)
  • TA 058
  • N(sup 4)-Methyl-D-asparagininylamoxicillin
  • Aspoxicillin (Standard)
  • Aspoxicillin (JAN/INN)
  • 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))-
  • (2S,5R,6R)-6-({(2R)-2-(4-hydroxyphenyl)-2-[(N-methyl-D-asparaginyl)amino]acetyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
493.54 g/molcalc.
Exact mass
493.1631 Dacalc.
LogP (octanol/water)
-1.36calc.
Topological polar surface area
191.2 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
8calc.
Heavy atoms
34calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(Cc1ccccc1)NC1C(=O)N2CCSC12

O=C(Cc1ccccc1)NC1C(=O)N2CCSC12

3 rings, 18 atoms.

177 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Aspoxicillin suppliers

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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

1 supplier in 1 country

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Aspoxicillin price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antibacterial agent
  • antimicrobial agent

Pharmacology

Aspoxicillin is a broad-spectrum, semisynthetic penicillin derivative with antibacterial activity. Aspoxicillin binds to and inactivates penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall. Inactivation of PBPs interferes with the cross-linkage of peptidoglycan chains necessary for bacterial cell wall strength and rigidity. This interrupts bacterial cell wall synthesis and results in the weakening of the bacterial cell wall, eventually causing cell lysis.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Aspoxicillin is traded under.

HS 2941.10Indicative HS code

Penicillins and their derivatives with a penicillanic acid structure, salts thereof

World exports in 2024
$1.66B
−2.5% vs 2023, imports $1.63B
2019 to 2024
Top exporters
  1. China56.8%
  2. Spain13.1%
  3. India * partner reported7.7%
Top importers
  1. India * partner reported16.4%
  2. Austria9.3%
  3. Brazil5.4%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Aspoxicillin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Aspoxicillin, based on the data on this page

What is Aspoxicillin?

Aspoxicillin is a peptide.

What is the CAS number of Aspoxicillin?

The CAS registry number of Aspoxicillin is 63358-49-6.

What is the molecular formula and weight of Aspoxicillin?

The molecular formula of Aspoxicillin is C21H27N5O7S and its molar mass is 493.54 g/mol.

What is Aspoxicillin used for?

Known uses and roles of Aspoxicillin include antibacterial agent and antimicrobial agent.

Is Aspoxicillin hazardous?

Aspoxicillin carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Aspoxicillin?

Aspoxicillin is usually classified under HS code 294110 (Penicillins and their derivatives with a penicillanic acid structure, salts thereof). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Aspoxicillin?

CompoundList lists 1 supplier of Aspoxicillin in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Aspoxicillin?

Suppliers quote Aspoxicillin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Aspoxicillin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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