Deserpidine
Also known as Harmonyl, Raunormine, Recanescine
Key facts
What buyers check first
- CAS number
- 131-01-1
- Formula
- C32H38N2O8
- Molar mass
- 578.66 g/mol
- EC number
- 205-004-8
- HS code
- 293399
- Category
- Screening compounds
What is Deserpidine?
Plain description, key identifiers and synonyms
Deserpidine is a methyl ester, a yohimban alkaloid, a benzoate ester, an organic heteropentacyclic compound and an alkaloid ester. It derives from a hydride of a yohimban.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
- CAS number
- 131-01-1 CAS number cross-checked
- EC number
- 205-004-8
- Molecular formula
- C32H38N2O8
- UNII
- 9016E3VB47
- MDL number
- MFCD00078228
- InChIKey
- CVBMAZKKCSYWQR-WCGOZPBSSA-N
- InChI
- InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1
- Canonical SMILES
- COC(=O)C1C2CC3c4[nH]c5ccccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC
- Isomeric SMILES
- CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
Synonyms
- Harmonyl
- Raunormine
- Recanescine
- Recanescin
- Canescine
- 11-Demethoxyreserpine
- 11-Desmethoxyreserpine
- Deserpidina
- Deserpidinum
- Halmonyl
- Deserpidine, (-)-
- methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
- (3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester
- (3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-((3,4,5-trimethoxybenzoyl)oxy)yohimban-16-carboxylic acid methyl ester
- Deserpidin
- Desepridine
- Raunormin
- Canescin
- Desmethoxyreserpine
- Reserpidine
- Tranquinil
- Deresperine
- Deserpidine (INN)
- Deserpidic acid, methyl ester, 3,4,5-trimethoxybenzoate
- Lilly 22641
Show all 34 synonymsShow fewer synonyms
- Methyl 18beta-hydroxy-17alpha-methoxy-3beta,20alpha-yohimban-16beta-carboxylate, 3,4,5-trimethoxybenzoate (ester)
- methyl (3beta,16beta,17alpha,18beta,20alpha)-17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate
- Yohimban-16-carboxylic acid,17-methoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester,(3b,16b,17a,18b,20a)-
- methyl (3beta,16beta,17alpha,18beta,20alpha)-17-(methyloxy)-18-({[3,4,5-tris(methyloxy)phenyl]carbonyl}oxy)yohimban-16-carboxylate
- Methyl 17alpha-methoxy-18beta-((3,4,5-trimethoxybenzoyl)oxy)-3beta,20alpha-yohimban-16beta-carboxylate
- Halmonyl (TN)
- Methyl 17alpha-methoxy-18beta-[(3,4,5-trimethoxybenzoyl)oxy]-3beta,20alpha-yohimban-16beta-carboxylate
- Methyl 17alpha-methoxy-18beta-(3,4,5-trimethoxybenzoyloxy)-3beta,20alpha-yohimban-16beta-carboxylat
- Deserpidine (Standard)
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 | 578.66 g/molcalc.Computed value |
|---|---|
| Exact mass | 578.2628 Dacalc.Computed value |
| LogP (octanol/water) | 4.16calc.Computed value |
| Topological polar surface area | 108.6 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 9calc.Computed value |
| Rotatable bonds | 7calc.Computed value |
| Heavy atoms | 42calc.Computed value |
| Rings | 6calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.5calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 6calc.Computed value |
| Lipinski rule of five | Passes (1 violation)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(OC1CCC2CC3c4[nH]c5ccccc5c4CCN3CC2C1)c1ccccc1
6 rings, 30 atoms.
52 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.
Deserpidine suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- ChinaUnclaimed profileDeserpidineGrade, purity and minimum order on requestPrice on request
- ChinaUnclaimed profileDeserpidineGrade, purity and minimum order on requestPrice on request
- Japan, TokyoUnclaimed profileDeserpidineGrade, purity and minimum order on requestPrice on request
- China, GuangzhouUnclaimed profileDeserpidineGrade, purity and minimum order on requestPrice on request
- China, ChangshaUnclaimed profileDeserpidineGrade, purity and minimum order on requestPrice on request
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Deserpidine 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
Roles
- antihypertensive agent
- cardiovascular drug
- pharmaceutical
Pharmacology
Deserpidine is a Catecholamine-depleting Sympatholytic. The physiologic effect of deserpidine is by means of Decreased Sympathetic Activity.
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 Deserpidine is traded under.
Heterocyclic compounds with nitrogen hetero-atom(s) only, other
- Slovenia31.7%
- Italy24.2%
- United States5.0%
* Partner reported figures, a lower bound.
The HS code shown for Deserpidine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Deserpidine, based on the data on this page
What is Deserpidine?
What is the CAS number of Deserpidine?
What is the molecular formula and weight of Deserpidine?
What is Deserpidine used for?
Is Deserpidine hazardous?
What is the HS code of Deserpidine?
Where can I buy Deserpidine?
What is the price of Deserpidine?
Guides for buyers
Practical guides that help when you source, ship or handle Deserpidine
- 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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