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Heterocyclic building blocks

Flucexin

Also known as Cephalexin / Floxacillin

CAS 79806-18-1Formula C35H34ClFN6O9S2Molar mass 801.28 g/mol
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Flucexin chemical structure, C35H34ClFN6O9S2, CAS 79806-18-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
79806-18-1
Formula
C35H34ClFN6O9S2
Molar mass
801.28 g/mol
HS code
294110
Category
Heterocyclic building blocks

What is Flucexin?

Plain description, key identifiers and synonyms

Flucexin is a chemical substance with the molecular formula C35H34ClFN6O9S2 and a molar mass of 801.28 g/mol. Its CAS registry number is 79806-18-1. The IUPAC name is (6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (2S,5R,6R)-6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS number
79806-18-1
Molecular formula
C35H34ClFN6O9S2
InChIKey
OWXZKSOCHOSWJC-FJBOHYJFSA-N
InChI
InChI=1S/C19H17ClFN3O5S.C16H17N3O4S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t13-,14+,17-;10?,11-,15-/m11/s1
Canonical SMILES
CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1.Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O
Isomeric SMILES
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O

Synonyms

  • Cephalexin / Floxacillin

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
801.28 g/molcalc.
Exact mass
800.1501 Dacalc.
LogP (octanol/water)
3.13calc.
Topological polar surface area
225.5 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
8calc.
Heavy atoms
54calc.
Rings
7calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.34calc.
Formal charge
0calc.
Stereocentres
6calc.
Components
2calc.
Lipinski rule of five
Fails (2 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(NC1C(=O)N2CCSC12)c1conc1-c1ccccc1

O=C(NC1C(=O)N2CCSC12)c1conc1-c1ccccc1

4 rings, 22 atoms.

48 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.

Flucexin suppliers

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Flucexin 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 Flucexin 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 Flucexin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Flucexin?

Flucexin is a chemical substance with the molecular formula C35H34ClFN6O9S2 and a molar mass of 801.28 g/mol. Its CAS registry number is 79806-18-1.

What is the CAS number of Flucexin?

The CAS registry number of Flucexin is 79806-18-1.

What is the molecular formula and weight of Flucexin?

The molecular formula of Flucexin is C35H34ClFN6O9S2 and its molar mass is 801.28 g/mol.

What is Flucexin used for?

Known uses and roles of Flucexin include building blocks in research and laboratory.

Is Flucexin hazardous?

No GHS hazard classification for Flucexin 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 Flucexin?

Flucexin 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 Flucexin?

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

What is the price of Flucexin?

Suppliers quote Flucexin 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 Flucexin

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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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