Propicillin
Also known as propicilline, Propicilina, Propicillinum
Key facts
What buyers check first
- CAS number
- 551-27-9
- Formula
- C18H22N2O5S
- Molar mass
- 378.45 g/mol
- EC number
- 208-995-5
- HS code
- 294110
- Category
- Screening compounds
What is Propicillin?
Plain description, key identifiers and synonyms
Propicillin is a penicillin. It is a conjugate acid of a propicillin(1-).
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxybutanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- CAS number
- 551-27-9 CAS number cross-checked
- EC number
- 208-995-5
- Molecular formula
- C18H22N2O5S
- UNII
- 8X1R260V33
- InChIKey
- HOCWPKXKMNXINF-XQERAMJGSA-N
- InChI
- InChI=1S/C18H22N2O5S/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)/t11?,12-,13+,16-/m1/s1
- Canonical SMILES
- CCC(Oc1ccccc1)C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O
- 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
Synonyms
- propicilline
- Propicilina
- Propicillinum
- (1-Phenoxypropyl)penicillin
- phenoxypropylpenicillin
- 6beta-(2-phenoxybutanamido)-2,2-dimethylpenam-3alpha-carboxylic acid
- Propibay
- alpha-Phenoxypropylpenicillin
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxybutanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenoxybutanamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxybutanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
- Propicillin (BAN)
- 6-(alpha-phenoxybutyramido)penicillanic acid
- (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
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 | 378.45 g/molcalc.Computed value |
|---|---|
| Exact mass | 378.1249 Dacalc.Computed value |
| LogP (octanol/water) | 1.48calc.Computed value |
| Topological polar surface area | 95.94 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 6calc.Computed value |
| Heavy atoms | 26calc.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 |
| 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 suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Propicillin can send you quotes. Your contact details stay private until you accept a quote.
Propicillin 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
Use classes: Pharmaceuticals.
Industries and functions
Pharmacological actions
- Anti-Bacterial Agents
Roles
- antibacterial agent
- antimicrobial agent
Pharmacology
Propicillin is a semisynthetic, acid stable, penicillin with antibacterial activity. Propicillin binds to and inactivates penicillin-binding proteins (PBP) 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 and causes 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 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 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
Salt and hydrate forms
Records that share this compound as their parent
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![3,3-Dimethyl-7-oxo-6-[(2-phenoxypropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid chemical structure, C17H20N2O5S, CAS 910024-37-2](/s/NONJJLVGHLVQQM-UHFFFAOYSA-N.svg)
![(2S,5R,6R)-3,3-Dimethyl-6-(3-methyl-2-phenoxybutanamido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid chemical structure, C19H24N2O5S, CAS 14446-61-8](/s/WHPLREZLHGAXGC-XWEZZZMOSA-N.svg)
![4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenoxy-2-phenylacetyl)amino]-, potassium salt (1:1), (2S,5R,6R)- chemical structure, C22H22KN2O5S](/s/UNGJKLNHFBFJEH-RQCGWANSSA-N.svg)
![(2S,5R,6R)-3,3-Dimethyl-6-[(4-methyl-1-oxo-3-phenoxypentyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid chemical structure, C20H26N2O5S, CAS 906334-52-9](/s/IXBJANKTPFJRKK-NPVYPNSJSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![4-(5-Methyl-2-furanyl)-2-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester chemical structure, C18H22N2O5S, CAS 381731-23-3](/s/GIKHIJAMYRIXKY-UHFFFAOYSA-N.svg)
![N-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}-4-methylbenzenesulfonamide chemical structure, C18H22N2O5S, CAS 101786-06-5](/s/JAIKZWMGNPIKII-UHFFFAOYSA-N.svg)
![Methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate chemical structure, C18H22N2O5S, CAS 355004-11-4](/s/YHADHNNZSGGBSD-UHFFFAOYSA-N.svg)
![N-(3,5-Dimethoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide chemical structure, C18H22N2O5S, CAS 701238-39-3](/s/YUBWCSIZRFPAHI-UHFFFAOYSA-N.svg)
![Methyl 1-({11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}sulfonyl)piperidine-4-carboxylate chemical structure, C18H22N2O5S, CAS 898419-59-5](/s/OXZRJYSQSVFEKM-UHFFFAOYSA-N.svg)
![2-[N-(Benzenesulfonyl)-3,4-dimethoxyanilino]-N-ethylacetamide chemical structure, C18H22N2O5S, CAS 333449-55-1](/s/XDPOIINQYVUVGX-UHFFFAOYSA-N.svg)
![2-Furyl 4-[(4-methoxy-2,3-dimethylphenyl)sulfonyl]piperazinyl ketone chemical structure, C18H22N2O5S, CAS 794548-63-3](/s/OVHSWQLSTNLTDV-UHFFFAOYSA-N.svg)
![Ethyl 4-[(4-methoxy-1-naphthyl)sulfonyl]-1-piperazinecarboxylate chemical structure, C18H22N2O5S, CAS 694466-29-0](/s/SWMLXJLCKQHJNM-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Propicillin, based on the data on this page
What is Propicillin?
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What is the molecular formula and weight of Propicillin?
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Guides for buyers
Practical guides that help when you source, ship or handle Propicillin
- 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
- 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
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