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Impurities and reference standards

Decarboxyticarcillin

Also known as Ticarcillin EP Impurity A, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-thiophen-3-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[2-(thiophen-3-yl)acetamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

CAS 36041-93-7Formula C14H16N2O4S2Molar mass 340.43 g/mol
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Decarboxyticarcillin chemical structure, C14H16N2O4S2, CAS 36041-93-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
36041-93-7
Formula
C14H16N2O4S2
Molar mass
340.43 g/mol
HS code
294110
Category
Impurities and reference standards

What is Decarboxyticarcillin?

Plain description, key identifiers and synonyms

Decarboxyticarcillin is a chemical substance with the molecular formula C14H16N2O4S2 and a molar mass of 340.43 g/mol. Its CAS registry number is 36041-93-7. The IUPAC name is (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-thiophen-3-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-thiophen-3-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS number
36041-93-7
Molecular formula
C14H16N2O4S2
UNII
JTY004YHD6
InChIKey
YSQNZHBPPHVMSD-JFGNBEQYSA-N
InChI
InChI=1S/C14H16N2O4S2/c1-14(2)10(13(19)20)16-11(18)9(12(16)22-14)15-8(17)5-7-3-4-21-6-7/h3-4,6,9-10,12H,5H2,1-2H3,(H,15,17)(H,19,20)/t9-,10+,12-/m1/s1
Canonical SMILES
CC1(C)SC2C(NC(=O)Cc3ccsc3)C(=O)N2C1C(=O)O
Isomeric SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CSC=C3)C(=O)O)C

Synonyms

  • Ticarcillin EP Impurity A
  • (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-thiophen-3-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[2-(thiophen-3-yl)acetamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(((thiophen-3-yl)acetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[[(thiophen-3-yl)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • Ticarcillin impurity A CRS
  • Decarboxy ticarcillin
  • (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[2-(thiophen-3-yl)acetamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((3-thienylacetyl)amino)-, (2S-(2alpha,5alpha,6.beta.))-
  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((3-thienylacetyl)amino)-, (2S-(2alpha,5alpha,6beta))-

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
340.43 g/molcalc.
Exact mass
340.0551 Dacalc.
LogP (octanol/water)
0.92calc.
Topological polar surface area
86.71 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
22calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
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.

Decarboxyticarcillin suppliers

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

Frequently asked questions

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

What is Decarboxyticarcillin?

Decarboxyticarcillin is a chemical substance with the molecular formula C14H16N2O4S2 and a molar mass of 340.43 g/mol. Its CAS registry number is 36041-93-7. The IUPAC name is (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-thiophen-3-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.

What is the CAS number of Decarboxyticarcillin?

The CAS registry number of Decarboxyticarcillin is 36041-93-7.

What is the molecular formula and weight of Decarboxyticarcillin?

The molecular formula of Decarboxyticarcillin is C14H16N2O4S2 and its molar mass is 340.43 g/mol.

Is Decarboxyticarcillin hazardous?

No GHS hazard classification for Decarboxyticarcillin 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 Decarboxyticarcillin?

Decarboxyticarcillin 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 Decarboxyticarcillin?

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What is the price of Decarboxyticarcillin?

Suppliers quote Decarboxyticarcillin 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 Decarboxyticarcillin

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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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