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Antibiotics and anti-infectives

Clometocillin

Also known as Clometacillin, Clometocilina, Clometocilline

CAS 1926-49-4Formula C17H18Cl2N2O5SMolar mass 433.31 g/molEC 217-657-6
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Clometocillin chemical structure, C17H18Cl2N2O5S, CAS 1926-49-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1926-49-4
Formula
C17H18Cl2N2O5S
Molar mass
433.31 g/mol
EC number
217-657-6
HS code
294110
Category
Antibiotics and anti-infectives

What is Clometocillin?

Plain description, key identifiers and synonyms

Clometocillin is a penicillin that is benzylpenicillin in which the phenylacetyl group has been replaced by a (3,4-dichlorophenyl)(methoxy)acetyl group. It is a mixture of epimers at the methoxy-bearing carbon. It has a role as an antibacterial drug. It is a penicillin, a dichlorobenzene and a semisynthetic derivative.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,5R,6R)-6-[[2-(3,4-dichlorophenyl)-2-methoxyacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS number
1926-49-4 CAS number cross-checked
EC number
217-657-6
Molecular formula
C17H18Cl2N2O5S
UNII
YI8LL014GF
InChIKey
JKXQBIZCQJLVOS-GSNLGQFWSA-N
InChI
InChI=1S/C17H18Cl2N2O5S/c1-17(2)12(16(24)25)21-14(23)10(15(21)27-17)20-13(22)11(26-3)7-4-5-8(18)9(19)6-7/h4-6,10-12,15H,1-3H3,(H,20,22)(H,24,25)/t10-,11?,12+,15-/m1/s1
Canonical SMILES
COC(C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O)c1ccc(Cl)c(Cl)c1
Isomeric SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC(=C(C=C3)Cl)Cl)OC)C(=O)O)C

Synonyms

  • Clometacillin
  • Clometocilina
  • Clometocilline
  • clomethacillin
  • Clometocillinum
  • (2S,5R,6R)-6-[[2-(3,4-dichlorophenyl)-2-methoxyacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 3,4-Dichloro-alpha-methoxybenzylpenicillin
  • (3,4-Dichloro-alpha-methoxybenzyl)penicillin
  • (2S,5R,6R)-6-[2-(3,4-dichlorophenyl)-2-methoxyacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2S,5R,6R)-6-((2-(3,4-dichlorophenyl)-2-methoxyacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • (2S,5R,6R)-6-(2-(3,4-dichlorophenyl)-2-methoxyacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • 3,4-dichloromethoxybenzylpenicillin
  • DL-3,4-dichloro-alpha-methoxy-benzylpenicillin
  • (6R)-6-(2-(3,4-dichlorophenyl)-2-methoxyacetamido)penicillanate
  • Rixapen
  • Chlomethocillin
  • Clometocillin (INN)
  • 6-[[2-(3,4-dichlorophenyl)-2-methoxyacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • Penicilline 356
  • Penicilline 3566, Rixapen
  • penicillin 356
  • (2S,5R,6R)-6-(2-(3,4-Dichlorphenyl)-2-methoxyacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure
  • 6-(2-(3,4-Dichlorophenyl)-2-methoxyacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • 6-(alpha-methoxy-3,4-dichlorophenylacetamido)penicillanic acid
  • (2S,5R,6R)-6-[2-(3,4-dichlorophenyl)(methoxy)acetamido]-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
433.31 g/molcalc.
Exact mass
432.0313 Dacalc.
LogP (octanol/water)
2.31calc.
Topological polar surface area
95.94 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.47calc.
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(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.

Clometocillin suppliers

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Clometocillin price

Indicative price range per kg from live supplier offers

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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
  • antibacterial drug
  • antiinfective agent
  • antimicrobial agent
  • antimicrobial drug
  • pharmaceutical

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

Frequently asked questions

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

What is Clometocillin?

Clometocillin is a penicillin that is benzylpenicillin in which the phenylacetyl group has been replaced by a (3,4-dichlorophenyl)(methoxy)acetyl group. It is a mixture of epimers at the methoxy-bearing carbon. It has a role as an antibacterial drug. It is a penicillin, a dichlorobenzene and a semisynthetic derivative.

What is the CAS number of Clometocillin?

The CAS registry number of Clometocillin is 1926-49-4.

What is the molecular formula and weight of Clometocillin?

The molecular formula of Clometocillin is C17H18Cl2N2O5S and its molar mass is 433.31 g/mol.

What is Clometocillin used for?

Known uses and roles of Clometocillin include antibacterials and antibiotics in pharmaceuticals, antibacterial agent, antibacterial drug, antiinfective agent, antimicrobial agent and 2 more.

Is Clometocillin hazardous?

No GHS hazard classification for Clometocillin 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 Clometocillin?

Clometocillin 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 Clometocillin?

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

What is the price of Clometocillin?

Suppliers quote Clometocillin 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 Clometocillin

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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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