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Heterocyclic compounds

Temocillin sodium

Also known as Temocillin disodium salt, temocillin disodium, BRL 17421

CAS 61545-06-0Formula C16H16N2Na2O7S2Molar mass 458.43 g/molEC 262-835-9
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Temocillin sodium chemical structure, C16H16N2Na2O7S2, CAS 61545-06-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
61545-06-0
Formula
C16H16N2Na2O7S2
Molar mass
458.43 g/mol
EC number
262-835-9
HS code
294110
Category
Heterocyclic compounds

What is Temocillin sodium?

Plain description, key identifiers and synonyms

Temocillin disodium is an organic sodium salt. It contains a temocillin(2-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
disodium, (2S,5R,6S)-6-[(2-carboxylato-2-thiophen-3-ylacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS number
61545-06-0 CAS number cross-checked
EC number
262-835-9
Molecular formula
C16H16N2Na2O7S2
UNII
96IIP39ODH
InChIKey
MRGCZDWBFFUEES-CWBCWDDISA-L
InChI
InChI=1S/C16H18N2O7S2.2Na/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);;/q;2*+1/p-2/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.[Na+].[Na+]
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.[Na+].[Na+]

Synonyms

  • Temocillin disodium salt
  • temocillin disodium
  • BRL 17421
  • disodium, (2S,5R,6S)-6-[(2-carboxylato-2-thiophen-3-ylacetyl)amino]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • Sodium (2S,5R,6S)-6-(2-carboxylato-2-(thiophen-3-yl)acetamido)-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • Negaban (TN)
  • Antibiotic BRL 17421
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((carboxy-3-thienylacetyl)amino)-6-methoxy-3,3-dimethyl-7-oxo-, disodium salt, (2S,5R,6S)-
  • Disodium (2S,5R,6S)-6-[2-carboxylato-2-(thiophen-3-yl)acetamido]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • Disodium (2S-(2alpha,5alpha,6alpha))-6-(carboxylato-3-thienylacetamido)-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate
  • disodium 6beta-[carboxylato(thiophen-3-yl)acetamido]-6-methoxy-2,2-dimethylpenam-3alpha-carboxylate
  • 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 disodium salt

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
458.43 g/molcalc.
Exact mass
458.0194 Dacalc.
LogP (octanol/water)
-8.14calc.
Topological polar surface area
138.9 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
6calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
4calc.
Components
3calc.
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 sodium suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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  • Bioquim S.A.
    Spain, Les Franqueses del Vallès ManufacturerUnclaimed profile
    Temocillin DisodiumGrade, purity and minimum order on request
    Price on request
    View

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Where suppliers are based

1 supplier in 1 country

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

Frequently asked questions

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

What is Temocillin sodium?

Temocillin disodium is an organic sodium salt. It contains a temocillin(2-).

What is the CAS number of Temocillin sodium?

The CAS registry number of Temocillin sodium is 61545-06-0.

What is the molecular formula and weight of Temocillin sodium?

The molecular formula of Temocillin sodium is C16H16N2Na2O7S2 and its molar mass is 458.43 g/mol.

Is Temocillin sodium hazardous?

No GHS hazard classification for Temocillin sodium 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 sodium?

Temocillin sodium 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 sodium?

CompoundList lists 1 supplier of Temocillin sodium in Spain. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Temocillin sodium?

Suppliers quote Temocillin sodium 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

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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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