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Screening compounds

Myoscorpine

Also known as 7-Tigloylintermedine, 2-Butenoic acid, 2-methyl-, (1R,7aR)-7-(((2S,3R)-2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (2E)-, [(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate

CAS 82535-76-0Formula C20H31NO6Molar mass 381.47 g/mol
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Myoscorpine chemical structure, C20H31NO6, CAS 82535-76-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
82535-76-0
Formula
C20H31NO6
Molar mass
381.47 g/mol
HS code
293399
Category
Screening compounds

What is Myoscorpine?

Plain description, key identifiers and synonyms

myoscorpine has been reported in Myosotis scorpioides, Lithospermum erythrorhizon, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
CAS number
82535-76-0 CAS number cross-checked
Molecular formula
C20H31NO6
UNII
755V48P1HV
InChIKey
MVWPTZQHBOWRTF-MVEITQORSA-N
InChI
InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16-,17-,20+/m1/s1
Canonical SMILES
CC=C(C)C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)C)C(C)O)C12
Isomeric SMILES
C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](C)O)(C(C)C)O

Synonyms

  • 7-Tigloylintermedine
  • 2-Butenoic acid, 2-methyl-, (1R,7aR)-7-(((2S,3R)-2,3-dihydroxy-2-(1-methylethyl)-1-oxobutoxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester, (2E)-
  • [(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
  • (1R,7aR)-7-({[(2S,3R)-2,3-Dihydroxy-2-(propan-2-yl)butanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl (2E)-2-methylbut-2-enoate

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
381.47 g/molcalc.
Exact mass
381.2151 Dacalc.
LogP (octanol/water)
1.19calc.
Topological polar surface area
96.3 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
7calc.
Heavy atoms
27calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.7calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1=CC2CCCN2C1

C1=CC2CCCN2C1

2 rings, 8 atoms, the 2,3,5,7A-Tetrahydro-1H-pyrrolizine ring system.

130 other chemicals share this scaffold

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.

Myoscorpine suppliers

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Myoscorpine price

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Uses and applications

What the substance is used for, by industry and function

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 Myoscorpine is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Myoscorpine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Myoscorpine, based on the data on this page

What is Myoscorpine?

myoscorpine has been reported in Myosotis scorpioides, Lithospermum erythrorhizon, and other organisms.

What is the CAS number of Myoscorpine?

The CAS registry number of Myoscorpine is 82535-76-0.

What is the molecular formula and weight of Myoscorpine?

The molecular formula of Myoscorpine is C20H31NO6 and its molar mass is 381.47 g/mol.

What is Myoscorpine used for?

Known uses and roles of Myoscorpine include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Myoscorpine hazardous?

No GHS hazard classification for Myoscorpine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Myoscorpine?

Myoscorpine is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Myoscorpine?

Post a free request on CompoundList and suppliers of Myoscorpine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Myoscorpine?

Suppliers quote Myoscorpine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Myoscorpine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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