Cymarin
Also known as Cymarine, K-Strophanthin-alpha, Card-20(22)-enolide, 3-((2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3beta,5beta)-
Key facts
What buyers check first
- CAS number
- 508-77-0
- Formula
- C30H44O9
- Molar mass
- 548.67 g/mol
- EC number
- 208-087-9
- HS code
- 293220
- Category
- Cardiovascular and metabolic drugs
What is Cymarin?
Plain description, key identifiers and synonyms
Cymarin is a cardenolide glycoside.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
- CAS number
- 508-77-0 CAS number cross-checked
- EC number
- 208-087-9
- Molecular formula
- C30H44O9
- UNII
- UK3LS8435E
- MDL number
- MFCD00003669
- InChIKey
- XQCGNURMLWFQJR-ZNDDOCHDSA-N
- InChI
- InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1
- Canonical SMILES
- COC1CC(OC2CCC3(C=O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1O
- Isomeric SMILES
- C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O
Synonyms
- Cymarine
- K-Strophanthin-alpha
- Card-20(22)-enolide, 3-((2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3beta,5beta)-
- Tsimarin
- Zimarin
- h Strophanthin
- h-Strophanthin
- k Strophanthin alpha
- Stropheantin K
- Alvonal MR
- Strofantidina cimaroside
- Cymarin (VAN)
- WV 90043a
- Strophanthidin-D-cymarosid
- 5-18-05-00129 (Beilstein Handbook Reference)
- 5-beta-Card-20(22)-enolide, 3-beta-(beta-D-cymarosyloxy)-5,14-dihydroxy-19-oxo-
- Cymarin, >=96% (HPLC)
- STOCK1N-53317
- ACon0_000820
- ACon1_001275
- Strophanthidin 3-O-beta-D-cymaroside
- 3beta-((2,6-dideoxy-3-o-methyl-beta-d-ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-5beta,14beta-card-20(22)-enolide
- 3beta-[(2,6-Dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-5beta-card-20(22)-enolide
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 | 548.67 g/molcalc.Computed value |
|---|---|
| Exact mass | 548.2985 Dacalc.Computed value |
| LogP (octanol/water) | 2.43calc.Computed value |
| Topological polar surface area | 131.8 Ųcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 9calc.Computed value |
| Rotatable bonds | 5calc.Computed value |
| Heavy atoms | 39calc.Computed value |
| Rings | 6calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.87calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 12calc.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=C1C=C(C2CCC3C2CCC2C4CCC(OC5CCCCO5)CC4CCC23)CO1
6 rings, 30 atoms.
167 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H301Toxic if swallowed.
- H331Toxic if inhaled.
- H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (14)
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P271Use only outdoors or in a well-ventilated area.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P316Get emergency medical help immediately.
- P319Get medical help if you feel unwell.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
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 aidCymarin suppliers
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Where suppliers are based
3 suppliers in 2 countries
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Cymarin 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
Industries and functions
Pharmacological actions
- Anti-Arrhythmia Agents
- Cardiotonic Agents
Roles
- cardiovascular drug
- pharmaceutical
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 Cymarin is traded under.
Lactones
- United States14.2%
- India * partner reported13.5%
- Brazil8.5%
* Partner reported figures, a lower bound.
The HS code shown for Cymarin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Cymarin, based on the data on this page
What is Cymarin?
What is the CAS number of Cymarin?
What is the molecular formula and weight of Cymarin?
What is Cymarin used for?
Is Cymarin hazardous?
What is the HS code of Cymarin?
Where can I buy Cymarin?
What is the price of Cymarin?
Guides for buyers
Practical guides that help when you source, ship or handle Cymarin
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- 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
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