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Screening compounds

Epicillin

Also known as Dexacillin, Dihydroampicillin, Epicilina

CAS 26774-90-3Formula C16H21N3O4SMolar mass 351.43 g/molEC 248-001-7
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Epicillin chemical structure, C16H21N3O4S, CAS 26774-90-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
26774-90-3
Formula
C16H21N3O4S
Molar mass
351.43 g/mol
EC number
248-001-7
HS code
294110
Category
Screening compounds

What is Epicillin?

Plain description, key identifiers and synonyms

Epicillin is a penicillin in which the substituent at position 6 of the penam ring is a (2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido group. It is a penicillin and a penicillin allergen. It is functionally related to an ampicillin.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,5R,6R)-6-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS number
26774-90-3 CAS number cross-checked
EC number
248-001-7
Molecular formula
C16H21N3O4S
UNII
3LU1L73C8Y
InChIKey
RPBAFSBGYDKNRG-NJBDSQKTSA-N
InChI
InChI=1S/C16H21N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-4,7,9-11,14H,5-6,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1
Canonical SMILES
CC1(C)SC2C(NC(=O)C(N)C3=CCC=CC3)C(=O)N2C1C(=O)O
Isomeric SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)C(=O)O)C

Synonyms

  • Dexacillin
  • Dihydroampicillin
  • Epicilina
  • Epicilline
  • Epicillinum
  • SQ 11302
  • SQ 11,302
  • (2S,5R,6R)-6-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 6-(D-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • 6beta-[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid
  • epicillina
  • (2S,5R,6R)-6-(((2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • 6beta-((2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido)-2,2-dimethylpenam-3alpha-carboxylic acid
  • SQ-11,302
  • Dexacillin (TN)
  • Epicillin (USAN/INN)
  • 6-((Amino-1,4-cyclohexadien-1-ylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid (2S-(2alpha,5alpha,6beta,(S*)))-
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((amino-1,4-cyclohexadien-1-ylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3,3-dimethyl-7-oxo-, D-
  • (2S,5R,6R)-6-{[(2R)-2-Amino-2-(cyclohexa-1,4-dien-1-yl)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
351.43 g/molcalc.
Exact mass
351.1253 Dacalc.
LogP (octanol/water)
0.22calc.
Topological polar surface area
112.7 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
24calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
4calc.
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(CC1=CCC=CC1)NC1C(=O)N2CCSC12

O=C(CC1=CCC=CC1)NC1C(=O)N2CCSC12

3 rings, 18 atoms.

1 other chemical 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.

Epicillin suppliers

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Epicillin 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

Pharmacological actions

  • Anti-Bacterial Agents

Roles

  • antibacterial agent
  • antimicrobial agent

Pharmacology

Epicillin is an extended-spectrum, semisynthetic aminopenicillin with antibacterial activity. Epicillin 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 Epicillin 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 Epicillin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Epicillin?

Epicillin is a penicillin in which the substituent at position 6 of the penam ring is a (2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido group. It is a penicillin and a penicillin allergen. It is functionally related to an ampicillin.

What is the CAS number of Epicillin?

The CAS registry number of Epicillin is 26774-90-3.

What is the molecular formula and weight of Epicillin?

The molecular formula of Epicillin is C16H21N3O4S and its molar mass is 351.43 g/mol.

What is Epicillin used for?

Known uses and roles of Epicillin include building blocks in research and laboratory, screening compounds in research and laboratory, antibacterial agent, antimicrobial agent and anti-bacterial agents.

Is Epicillin hazardous?

No GHS hazard classification for Epicillin 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 Epicillin?

Epicillin 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 Epicillin?

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What is the price of Epicillin?

Suppliers quote Epicillin 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 Epicillin

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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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