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Heterocyclic compounds

Phenyracillin

Also known as 2,5-Diphenylpiperazine salt of benzylpenicillin, Penirazine, Phenyracilline

CAS 7009-88-3Formula C48H54N6O8S2Molar mass 907.13 g/molEC 230-290-6
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Phenyracillin chemical structure, C48H54N6O8S2, CAS 7009-88-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
7009-88-3
Formula
C48H54N6O8S2
Molar mass
907.13 g/mol
EC number
230-290-6
HS code
294110
Category
Heterocyclic compounds

What is Phenyracillin?

Plain description, key identifiers and synonyms

Phenyracillin is the 2,5-diphenylpiperazine salt of benzylpenicillin with antibacterial activity. Phenyracillin binds to and inactivates the penicillin binding proteins (PBPs) located inside 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.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
bis((2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid), 2,5-diphenylpiperazine
CAS number
7009-88-3 CAS number cross-checked
EC number
230-290-6
Molecular formula
C48H54N6O8S2
UNII
3V721R4XYY
InChIKey
IAKOCPCZBRUQBM-ANPZCEIESA-N
InChI
InChI=1S/2C16H18N2O4S.C16H18N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-13(8-4-1)15-11-18-16(12-17-15)14-9-5-2-6-10-14/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,15-18H,11-12H2/t2*11-,12+,14-;/m11./s1
Canonical SMILES
CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.c1ccc(C2CNC(c3ccccc3)CN2)cc1
Isomeric SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1C(NCC(N1)C2=CC=CC=C2)C3=CC=CC=C3

Synonyms

  • 2,5-Diphenylpiperazine salt of benzylpenicillin
  • Penirazine
  • Phenyracilline
  • (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 2,5-diphenylpiperazine
  • Feniracillina
  • Phenyracillinum
  • Feniracilina
  • Penicillinate de 2,5-diphenyl piperazine
  • (2S,5R,6R)-6-[(1-Hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid--2,5-diphenylpiperazine (2/1)
  • 6-[(1-Hydroxy-2-phenylethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid--2,5-diphenylpiperazine (2/1)

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
907.13 g/molcalc.
Exact mass
906.3445 Dacalc.
LogP (octanol/water)
4.38calc.
Topological polar surface area
197.5 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
10calc.
Heavy atoms
64calc.
Rings
9calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
8calc.
Components
3calc.
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(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

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.

Phenyracillin suppliers

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Phenyracillin 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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

Frequently asked questions

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

What is Phenyracillin?

Phenyracillin is the 2,5-diphenylpiperazine salt of benzylpenicillin with antibacterial activity. Phenyracillin binds to and inactivates the penicillin binding proteins (PBPs) located inside the bacterial cell wall.

What is the CAS number of Phenyracillin?

The CAS registry number of Phenyracillin is 7009-88-3.

What is the molecular formula and weight of Phenyracillin?

The molecular formula of Phenyracillin is C48H54N6O8S2 and its molar mass is 907.13 g/mol.

Is Phenyracillin hazardous?

No GHS hazard classification for Phenyracillin 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 Phenyracillin?

Phenyracillin 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 Phenyracillin?

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

What is the price of Phenyracillin?

Suppliers quote Phenyracillin 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 Phenyracillin

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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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