Propicillin potassium
Also known as Brocillin, Propicillin potassium salt, Alpha-phenoxy propylpenicillin
Key facts
What buyers check first
- CAS number
- 1245-44-9
- Formula
- C18H21KN2O5S
- Molar mass
- 416.54 g/mol
- EC number
- 214-993-5
- HS code
- 294110
- Category
- Heterocyclic compounds
What is Propicillin potassium?
Plain description, key identifiers and synonyms
Propicillin potassium is an organic potassium salt. It contains a propicillin(1-).
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxybutanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- CAS number
- 1245-44-9 CAS number cross-checked
- EC number
- 214-993-5
- Molecular formula
- C18H21KN2O5S
- UNII
- 75RXW2P83Y
- InChIKey
- ULBKMFLWMIGVOJ-CFXUUZMDSA-M
- InChI
- InChI=1S/C18H22N2O5S.K/c1-4-11(25-10-8-6-5-7-9-10)14(21)19-12-15(22)20-13(17(23)24)18(2,3)26-16(12)20;/h5-9,11-13,16H,4H2,1-3H3,(H,19,21)(H,23,24);/q;+1/p-1/t11?,12-,13+,16-;/m1./s1
- Canonical SMILES
- CCC(Oc1ccccc1)C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)[O-].[K+]
- Isomeric SMILES
- CCC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)[O-])OC3=CC=CC=C3.[K+]
Synonyms
- Brocillin
- Propicillin potassium salt
- Alpha-phenoxy propylpenicillin
- (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-((1-oxo-2-phenoxybutyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid potassium salt
- alpha-Phenoxypropylpenicillin potassium salt
- 6-(alpha-Phenoxybutyramido)penicillanic acid potassium salt
- Baycillin
- ultrapen
- Baycillin potassium
- Potassium propicillin
- Propicillin potassium (JAN)
- potassium, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxybutanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- Cetacillin
- Oricillin
- Trecillin
- Phenoxypropylpenicillin potassium
- Potassium phenoxypropylpenicillin
- Propicillin-Kalium
- 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6- (2-phenoxybutyramido)-, monopotassium salt
- potassium 6beta-(2-phenoxybutanamido)-2,2-dimethylpenam-3alpha-carboxylate
- potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxybutanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
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 | 416.54 g/molcalc.Computed value |
|---|---|
| Exact mass | 416.0808 Dacalc.Computed value |
| LogP (octanol/water) | -2.85calc.Computed value |
| Topological polar surface area | 98.77 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 6calc.Computed value |
| Rotatable bonds | 6calc.Computed value |
| Heavy atoms | 27calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.5calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 4calc.Computed value |
| Components | 2calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
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.
Propicillin potassium suppliers
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Propicillin potassium price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Pharmacology
Propicillin Potassium is the potassium salt form of propicillin, a semisynthetic acid-stable penicillin with antibacterial activity. Propicillin 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 Propicillin potassium is traded under.
Penicillins and their derivatives with a penicillanic acid structure, salts thereof
* Partner reported figures, a lower bound.
The HS code shown for Propicillin potassium is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Parent compound
The neutral parent of this salt, hydrate or mixture
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Frequently asked questions
Quick answers about Propicillin potassium, based on the data on this page
What is Propicillin potassium?
What is the CAS number of Propicillin potassium?
What is the molecular formula and weight of Propicillin potassium?
Is Propicillin potassium hazardous?
What is the HS code of Propicillin potassium?
Where can I buy Propicillin potassium?
What is the price of Propicillin potassium?
Guides for buyers
Practical guides that help when you source, ship or handle Propicillin potassium
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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