Troleandomycin
Also known as Triacetyloleandomycin, Oleandomycin triacetate, Oleandocetine
Key facts
What buyers check first
- CAS number
- 2751-09-9
- Formula
- C41H67NO15
- Molar mass
- 813.98 g/mol
- EC number
- 220-392-9
- HS code
- 293220
- Category
- Heterocyclic building blocks
What is Troleandomycin?
Plain description, key identifiers and synonyms
Troleandomycin is a semi-synthetic macrolide antibiotic obtained by acetylation of the three free hydroxy groups of oleandomycin. Troleandomycin is only found in individuals that have taken the drug. It has a role as a xenobiotic and an EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor. It is a macrolide antibiotic, a polyketide, an epoxide, an acetate ester, a monosaccharide derivative and a semisynthetic derivative. It is functionally related to an oleandomycin.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- [(3R,5S,6S,7R,8S,9R,12R,13S,14S,15R)-6-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-[(2R,4S,5S,6S)-5-acetyloxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadecan-14-yl] acetate
- CAS number
- 2751-09-9 CAS number cross-checked
- EC number
- 220-392-9
- Molecular formula
- C41H67NO15
- UNII
- C4DZ64560D
- InChIKey
- LQCLVBQBTUVCEQ-QTFUVMRISA-N
- InChI
- InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41+/m0/s1
- Canonical SMILES
- COC1CC(OC2C(C)C(=O)OC(C)C(C)C(OC(C)=O)C(C)C(=O)C3(CO3)CC(C)C(OC3OC(C)CC(N(C)C)C3OC(C)=O)C2C)OC(C)C1OC(C)=O
- Isomeric SMILES
- C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C
Synonyms
- Triacetyloleandomycin
- Oleandomycin triacetate
- Oleandocetine
- Tribiocillina
- Oleandomycin triacetyl ester
- Troleandomicina
- Troleandomycine
- Triocetin
- Troleandomycinum
- Oleandomycin, triacetate (ester)
- oleandomycin triacetate ester
- Triacetyloleandomycinum
- Oleandomycin (as troleandomycin)
- Tekmisin
- Cyclamycin
- Matromicina
- Treolmicina
- TAO
- Triacetyloleandomycin (JAN)
- Oleandomycin, triacetyl-
- Triolan
- Viamicina
- Wytrion
- Aovine
- Matromycin T
Show all 31 synonymsShow fewer synonyms
- Treis-Micina
- WY 651
- Acetyloleandomycin
- Tao (VAN)
- Tao (TN)
- Troleandomycin (USAN/INN)
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 | 813.98 g/molcalc.Computed value |
|---|---|
| Exact mass | 813.4511 Dacalc.Computed value |
| LogP (octanol/water) | 3.62calc.Computed value |
| Topological polar surface area | 184.2 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 16calc.Computed value |
| Rotatable bonds | 9calc.Computed value |
| Heavy atoms | 57calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.88calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 18calc.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=C1CC(OC2CCCCO2)CC(OC2CCCCO2)CCC2(CO2)C(=O)CCCCO1
4 rings, 32 atoms.
15 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H315Causes skin irritation.
- H319Causes serious eye irritation.
- H332Harmful if inhaled.
Precautionary statements (13)
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P271Use only outdoors or in a well-ventilated area.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P302 + P352If on skin: Wash with plenty of water.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P317Get medical help.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P332 + P317If skin irritation occurs: Get medical help.
- P337 + P317If eye irritation persists: Get medical help.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidTroleandomycin suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- United States, Streetsboro ManufacturerUnclaimed profileTroleandomycinGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profileTroleandomycinGrade, purity and minimum order on requestPrice on request
- United States, HaywardUnclaimed profileTroleandomycinGrade, purity and minimum order on requestPrice on request
- United States, WoburnUnclaimed profileTroleandomycinGrade, purity and minimum order on requestPrice on request
- China, ChangzhouUnclaimed profileTroleandomycinGrade, purity and minimum order on requestPrice on request
- United States, SomervilleUnclaimed profileTroleandomycinGrade, purity and minimum order on requestPrice on request
- United StatesUnclaimed profileTroleandomycinGrade, purity and minimum order on requestPrice on request
- Price on request
- Netherlands, RotterdamUnclaimed profileTroleandomycinGrade, purity and minimum order on requestPrice on request
- China, GuangzhouUnclaimed profileTroleandomycinGrade, 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
12 suppliers in 3 countries
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Troleandomycin 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
- enzyme inhibitor
- xenobiotic
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 Troleandomycin is traded under.
Lactones
- United States14.2%
- India * partner reported13.5%
- Brazil8.5%
* Partner reported figures, a lower bound.
The HS code shown for Troleandomycin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Troleandomycin, based on the data on this page
What is Troleandomycin?
What is the CAS number of Troleandomycin?
What is the molecular formula and weight of Troleandomycin?
What is Troleandomycin used for?
Is Troleandomycin hazardous?
What is the HS code of Troleandomycin?
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What is the price of Troleandomycin?
Guides for buyers
Practical guides that help when you source, ship or handle Troleandomycin
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.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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