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Screening compounds

Cefcanel

Also known as Cefcanelum, 3-(2-(5-methyl-1,3,4-thiadiazyl)mercaptomethyl)-7-(D-(-)-mandelamido)-3-cephem-4-carboxylic acid, (6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS 41952-52-7Formula C19H18N4O5S3Molar mass 478.58 g/mol
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Cefcanel chemical structure, C19H18N4O5S3, CAS 41952-52-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
41952-52-7
Formula
C19H18N4O5S3
Molar mass
478.58 g/mol
HS code
294190
Category
Screening compounds

What is Cefcanel?

Plain description, key identifiers and synonyms

Cefcanel is a semisynthetic third-generation cephalosporin with antibacterial activity. Cefcanel binds to and inactivates penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall. PBPs are enzymes involved in the terminal stages of assembling the bacterial cell wall and in reshaping the cell wall during growth and division. Inactivation of PBPs interferes with the cross-linkage of peptidoglycan chains necessary for bacterial cell wall strength and rigidity. This results in the weakening of the bacterial cell wall and causes cell lysis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS number
41952-52-7 CAS number cross-checked
Molecular formula
C19H18N4O5S3
UNII
2F5V2R6VX8
InChIKey
VDFFPBOAOLQAJV-SUYBPPKGSA-N
InChI
InChI=1S/C19H18N4O5S3/c1-9-21-22-19(31-9)30-8-11-7-29-17-12(16(26)23(17)13(11)18(27)28)20-15(25)14(24)10-5-3-2-4-6-10/h2-6,12,14,17,24H,7-8H2,1H3,(H,20,25)(H,27,28)/t12-,14-,17-/m1/s1
Canonical SMILES
Cc1nnc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)C(O)c4ccccc4)C3SC2)s1
Isomeric SMILES
CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)O)SC2)C(=O)O

Synonyms

  • Cefcanelum
  • 3-(2-(5-methyl-1,3,4-thiadiazyl)mercaptomethyl)-7-(D-(-)-mandelamido)-3-cephem-4-carboxylic acid
  • (6R,7R)-7-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6R,7R)-7-((R)-Mandelamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-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
478.58 g/molcalc.
Exact mass
478.0439 Dacalc.
LogP (octanol/water)
1.41calc.
Topological polar surface area
132.7 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
7calc.
Heavy atoms
31calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (0 violations)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)N2C=C(CSc3nncs3)CSC12

O=C(Cc1ccccc1)NC1C(=O)N2C=C(CSc3nncs3)CSC12

4 rings, 26 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Cefcanel suppliers

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Cefcanel price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

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 Cefcanel is traded under.

HS 2941.90Indicative HS code

Antibiotics, other

World exports in 2024
$6.39B
+2.3% vs 2023, imports $6.97B
2019 to 2024
Top exporters
  1. China39.7%
  2. United States11.3%
  3. Switzerland * partner reported10.9%
Top importers
  1. Italy15.0%
  2. India * partner reported12.0%
  3. China8.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Cefcanel?

Cefcanel is a semisynthetic third-generation cephalosporin with antibacterial activity. Cefcanel binds to and inactivates penicillin-binding proteins (PBPs) located on the inner membrane of the bacterial cell wall.

What is the CAS number of Cefcanel?

The CAS registry number of Cefcanel is 41952-52-7.

What is the molecular formula and weight of Cefcanel?

The molecular formula of Cefcanel is C19H18N4O5S3 and its molar mass is 478.58 g/mol.

What is Cefcanel used for?

Known uses and roles of Cefcanel include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Cefcanel hazardous?

No GHS hazard classification for Cefcanel is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Cefcanel?

Cefcanel is usually classified under HS code 294190 (Antibiotics, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cefcanel?

Post a free request on CompoundList and suppliers of Cefcanel will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Cefcanel?

Suppliers quote Cefcanel 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 Cefcanel

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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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