Sultamicillin
Also known as sultamicilina, sultamicillinum, Sultamicilline
Key facts
What buyers check first
- CAS number
- 76497-13-7
- Formula
- C25H30N4O9S2
- Molar mass
- 594.67 g/mol
- HS code
- 294110
- Category
- Heterocyclic compounds
What is Sultamicillin?
Plain description, key identifiers and synonyms
Sultamicillin is a penicillanic acid ester. It is functionally related to an ampicillin and a sulbactam.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- [(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl (2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
- CAS number
- 76497-13-7 CAS number cross-checked
- Molecular formula
- C25H30N4O9S2
- UNII
- 65DT0ML581
- MDL number
- MFCD00864948
- InChIKey
- OPYGFNJSCUDTBT-PMLPCWDUSA-N
- InChI
- InChI=1S/C25H30N4O9S2/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31)/t14-,15-,16-,17+,18+,21-/m1/s1
- Canonical SMILES
- CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)OCOC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)C
- Isomeric SMILES
- CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OCOC(=O)[C@H]4C(S(=O)(=O)[C@H]5N4C(=O)C5)(C)C)C
Synonyms
- sultamicilina
- sultamicillinum
- Sultamicilline
- VD 1827
- CP-49,952
- CP 49952
- ({6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carbonyl}oxy)methyl 2,2-dimethylpenam-3alpha-carboxylate 1,1-dioxide
- sultamicilli
- ((6beta-((2R)-2-amino-2-phenylacetamido)-2,2-dimethylpenam-3alpha-carbonyl)oxy)methyl 2,2-dimethylpenam-3alpha-carboxylate 1,1-dioxide
- Sultamycillin
- Sultamicillin CRS
- [(2,2-dimethyl-1,1-dioxidopenam-3alpha-carbonyl)oxy]methyl 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate
- 76497-13-7 (free)
- Sultamicillin (Standard)
- Sultamicillin (USAN/INN)
- Sultamicillin for peak identification CRS
- 6'-(2-Amino-2-phenylacetamido)penicillanoyloxymethyl penicillanate 1,1-dioxide
- 1,1-Dioxopenicillanoyloxymethyl 6-(d-alpha-amino-alpha-phenylacetamido)penicillanate
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 | 594.67 g/molcalc.Computed value |
|---|---|
| Exact mass | 594.1454 Dacalc.Computed value |
| LogP (octanol/water) | -0.59calc.Computed value |
| Topological polar surface area | 182.5 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 11calc.Computed value |
| Rotatable bonds | 7calc.Computed value |
| Heavy atoms | 40calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.56calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 6calc.Computed value |
| Lipinski rule of five | Fails (2 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
O=C(Cc1ccccc1)NC1C(=O)N2C(C(=O)OCOC(=O)C3CS(=O)(=O)C4CC(=O)N34)CSC12
5 rings, 35 atoms.
2 other chemicals share this scaffoldSafety 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.
Sultamicillin suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, Jingdezhen ManufacturerUnclaimed profileSultamicillinGrade, purity and minimum order on requestPrice on request
- China, HangzhouUnclaimed profileSultamicillinGrade, purity and minimum order on requestPrice on request
- Price on request
- ChinaUnclaimed profileSultamicillinGrade, purity and minimum order on requestPrice on request
- ChinaUnclaimed profileSultamicillinGrade, purity and minimum order on requestPrice on request
- China, JingdezhenUnclaimed profileSultamicillinGrade, purity and minimum order on requestPrice on request
- Price on request
- United StatesUnclaimed profileSultamicillinGrade, purity and minimum order on requestPrice on request
- China, ChangzhouUnclaimed profileSultamicillinGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
9 suppliers in 3 countries
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Sultamicillin 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
Industries and functions
Pharmacological actions
- Anti-Bacterial Agents
Roles
- antibacterial agent
- antimicrobial agent
Pharmacology
Sultamicillin is a combination formulation of the sodium salts of the antibiotic ampicillin and the beta-lactamase inhibitor sulbactam with antibacterial activity. Ampicillin, a broad-spectrum, semisynthetic penicillin, binds to and inactivates penicillin-binding proteins (PBP) located on the inner membrane of the bacterial cell wall, thereby interfering with the cross-linking of peptidoglycan chains necessary for bacterial cell wall strength and rigidity. As a result, the cell wall is weakened and the cell lyses.
Read more
The sulbactam component irreversibly binds to bacterial beta-lactamase at or near its active site, thereby interfering with substrate binding and inhibiting bacterial metabolism of penicillin and cephalosporin beta-lactam antibiotics, effectively extending their antibiotic spectrum to include many beta-lactam-resistant bacteria.
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 Sultamicillin 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 Sultamicillin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Sultamicillin, based on the data on this page
What is Sultamicillin?
What is the CAS number of Sultamicillin?
What is the molecular formula and weight of Sultamicillin?
What is Sultamicillin used for?
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Guides for buyers
Practical guides that help when you source, ship or handle Sultamicillin
- 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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