Dregamine
Also known as 20-Epitabernemontanine, methyl 15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo(12.3.1.03,11.04,9)octadeca-3(11),4,6,8-tetraene-18-carboxylate, (-)-Dregamine
Key facts
What buyers check first
What is Dregamine?
Plain description, key identifiers and synonyms
Dregamine is a methyl ester, an organic heterotetracyclic compound, an alkaloid ester, a tertiary amino compound and a monoterpenoid indole alkaloid. It has a role as a plant metabolite.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- methyl (1S,14S,15R,18S)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
- EC number
- 218-948-0
- Molecular formula
- C21H26N2O3
- InChIKey
- FFVRRQMGGGTQRH-YWKPPDPDSA-N
- InChI
- InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3/t12-,14-,17-,19-/m0/s1
- Canonical SMILES
- CCC1CN(C)C2Cc3c([nH]c4ccccc34)C(=O)CC1C2C(=O)OC
- Isomeric SMILES
- CC[C@H]1CN([C@H]2CC3=C(C(=O)C[C@@H]1[C@@H]2C(=O)OC)NC4=CC=CC=C34)C
Synonyms
- 20-Epitabernemontanine
- methyl 15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo(12.3.1.03,11.04,9)octadeca-3(11),4,6,8-tetraene-18-carboxylate
- (-)-Dregamine
- methyl (1S,14S,15R,18S)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-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 | 354.45 g/molcalc.Computed value |
|---|---|
| Exact mass | 354.1943 Dacalc.Computed value |
| LogP (octanol/water) | 3.04calc.Computed value |
| Topological polar surface area | 62.4 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 2calc.Computed value |
| Heavy atoms | 26calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.52calc.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.
Dregamine suppliers
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Post one free request and suppliers who make or trade Dregamine can send you quotes. Your contact details stay private until you accept a quote.
Dregamine 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
Roles
- eukaryotic metabolite
- metabolite
- plant metabolite
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 Dregamine is traded under.
Alkaloids of vegetal origin, other than cocaine, ecgonine, salts, esters and other derivatives, not elsewhere…
- Switzerland * partner reported25.3%
- Germany21.4%
- India * partner reported14.9%
- United States20.9%
- Germany14.7%
- Italy14.6%
* Partner reported figures, a lower bound.
The HS code shown for Dregamine is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Dregamine, based on the data on this page
What is Dregamine?
What is the molecular formula and weight of Dregamine?
What is Dregamine used for?
Is Dregamine hazardous?
What is the HS code of Dregamine?
Where can I buy Dregamine?
What is the price of Dregamine?
Guides for buyers
Practical guides that help when you source, ship or handle Dregamine
- 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
- Article, QualityWhat a certificate of analysis should containThe parts of a complete COA, how to read it against your specification, the warning signs of a weak or copied certificate and how to verify results.Read
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