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Screening compounds

Temocillin

Also known as Temocilline, Temocillinum, Temocillina

CAS 66148-78-5Formula C16H18N2O7S2Molar mass 414.46 g/molEC 266-184-1
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Temocillin chemical structure, C16H18N2O7S2, CAS 66148-78-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
66148-78-5
Formula
C16H18N2O7S2
Molar mass
414.46 g/mol
EC number
266-184-1
HS code
294110
Category
Screening compounds

What is Temocillin?

Plain description, key identifiers and synonyms

Temocillin is a penicillin compound having a 6alpha-methoxy and 6beta-[2-carboxy(thiophen-3-yl)acetamido side-groups. It is a conjugate acid of a temocillin(2-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,5R,6S)-6-[(2-carboxy-2-thiophen-3-ylacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS number
66148-78-5 CAS number cross-checked
EC number
266-184-1
Molecular formula
C16H18N2O7S2
UNII
03QB156W6I
InChIKey
BVCKFLJARNKCSS-DWPRYXJFSA-N
InChI
InChI=1S/C16H18N2O7S2/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23)/t8?,9-,14+,16-/m0/s1
Canonical SMILES
COC1(NC(=O)C(C(=O)O)c2ccsc2)C(=O)N2C(C(=O)O)C(C)(C)SC21
Isomeric SMILES
CC1([C@@H](N2[C@H](S1)[C@@](C2=O)(NC(=O)C(C3=CSC=C3)C(=O)O)OC)C(=O)O)C

Synonyms

  • Temocilline
  • Temocillinum
  • Temocillina
  • BRL 17421 FREE ACID
  • BRL-17421 FREE ACID
  • (2S,5R,6S)-6-[(2-carboxy-2-thiophen-3-ylacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • N-((2S,5R,6S)-2-Carboxy-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-3-thiophenemalonamic acid
  • 6beta-[carboxy(thiophen-3-yl)acetamido]-6-methoxy-2,2-dimethylpenam-3alpha-carboxylic acid
  • 6beta-(carboxy(thiophen-3-yl)acetamido)-6-methoxy-2,2-dimethylpenam-3alpha-carboxylic acid
  • (2S,5R,6S)-6-((2-carboxy-2-thiophen-3-ylacetyl)amino)-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • N-[(2S,5R,6S)-2-Carboxy-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-3-thiophenemalonamic acid
  • temocillin, (2S-(2alpha,5alpha,6alpha))-
  • Negaban
  • BRL 17421 [as sodium]
  • Temocillin (USAN)
  • (2S,5R,6S)-6-[(3-hydroxy-3-oxo-2-thiophen-3-ylpropanoyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2S,5R,6S)-6-[2-carboxy-2-(thiophen-3-yl)acetamido]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • Temocilina
  • (2S,5R,6S)-6-[2-carboxy(thiophen-3-yl)acetamido]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2S,5R,6S)-6-{[carboxy(3-thienyl)acetyl]amino}-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2S,5R,6S)-6-{[carboxy(thiophen-3-yl)acetyl]amino}-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2S,5R,6S)-6-(2-carboxy-2-(thiophen-3-yl)acetamido)-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2S,5R,6S)-6-[[2-carboxy-2-(3-thienyl)acetyl]amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((carboxy-3-thienylacetyl)amino)-6-methoxy-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6alpha))-
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((carboxy-3-thienylacetyl)amino)-6-methoxy-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6.alpha.))-

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
414.46 g/molcalc.
Exact mass
414.0555 Dacalc.
LogP (octanol/water)
0.52calc.
Topological polar surface area
133.2 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
6calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
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(Cc1ccsc1)NC1C(=O)N2CCSC12

O=C(Cc1ccsc1)NC1C(=O)N2CCSC12

3 rings, 17 atoms.

11 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.

Temocillin suppliers

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Temocillin 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
  • antiinfective agent
  • antimicrobial agent
  • pharmaceutical

Pharmacology

Temocillin is a semisynthetic, narrow-spectrum, beta-lactamase-resistant penicillin with antibacterial activity. Temocillin 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 Temocillin 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 Temocillin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Temocillin?

Temocillin is a penicillin compound having a 6alpha-methoxy and 6beta-[2-carboxy(thiophen-3-yl)acetamido side-groups. It is a conjugate acid of a temocillin(2-).

What is the CAS number of Temocillin?

The CAS registry number of Temocillin is 66148-78-5.

What is the molecular formula and weight of Temocillin?

The molecular formula of Temocillin is C16H18N2O7S2 and its molar mass is 414.46 g/mol.

What is Temocillin used for?

Known uses and roles of Temocillin include building blocks in research and laboratory, screening compounds in research and laboratory, antibacterial agent, antiinfective agent, antimicrobial agent and 2 more.

Is Temocillin hazardous?

No GHS hazard classification for Temocillin 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 Temocillin?

Temocillin 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 Temocillin?

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

What is the price of Temocillin?

Suppliers quote Temocillin 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 Temocillin

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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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