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Heterocyclic building blocks

Voxergolide

Also known as voxergolida, voxergolidum, (+-)-(6aR,9R,10aR)-4,6a,7,8,9,10a-Hexahydro-7-methyl-9-((methylthio)methyl)-6H-indolo(3,4-gh)(1,4)benzoxazine

CAS 89651-00-3Formula C16H20N2OSMolar mass 288.42 g/mol
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Voxergolide chemical structure, C16H20N2OS, CAS 89651-00-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
89651-00-3
Formula
C16H20N2OS
Molar mass
288.42 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Voxergolide?

Plain description, key identifiers and synonyms

Voxergolide is a chemical substance with the molecular formula C16H20N2OS and a molar mass of 288.42 g/mol. Its CAS registry number is 89651-00-3. The IUPAC name is (2R,4R,7R)-6-methyl-4-(methylsulfanylmethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,4R,7R)-6-methyl-4-(methylsulfanylmethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
CAS number
89651-00-3
Molecular formula
C16H20N2OS
UNII
PP012U645Q
InChIKey
GYUHVILBXXBZDS-DJSGYFEHSA-N
InChI
InChI=1S/C16H20N2OS/c1-18-8-11(9-20-2)19-16-12-4-3-5-13-15(12)10(7-17-13)6-14(16)18/h3-5,7,11,14,16-17H,6,8-9H2,1-2H3/t11-,14-,16-/m1/s1
Canonical SMILES
CSCC1CN(C)C2Cc3c[nH]c4cccc(c34)C2O1
Isomeric SMILES
CN1C[C@@H](O[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC

Synonyms

  • voxergolida
  • voxergolidum
  • (+-)-(6aR,9R,10aR)-4,6a,7,8,9,10a-Hexahydro-7-methyl-9-((methylthio)methyl)-6H-indolo(3,4-gh)(1,4)benzoxazine
  • (2R,4R,7R)-6-methyl-4-(methylsulfanylmethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
  • (6aR,9R,10aR)-7-Methyl-9-[(methylsulfanyl)methyl]-4,6a,7,8,9,10a-hexahydro-6H-indolo[3,4-gh][1,4]benzoxazine

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
288.42 g/molcalc.
Exact mass
288.1296 Dacalc.
LogP (octanol/water)
2.83calc.
Topological polar surface area
28.26 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
20calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
3calc.
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, c1cc2c3c(c[nH]c3c1)CC1NCCOC21

c1cc2c3c(c[nH]c3c1)CC1NCCOC21

4 rings, 16 atoms.

9 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.

Voxergolide suppliers

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Voxergolide 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 Voxergolide is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Voxergolide?

Voxergolide is a chemical substance with the molecular formula C16H20N2OS and a molar mass of 288.42 g/mol. Its CAS registry number is 89651-00-3. The IUPAC name is (2R,4R,7R)-6-methyl-4-(methylsulfanylmethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene.

What is the CAS number of Voxergolide?

The CAS registry number of Voxergolide is 89651-00-3.

What is the molecular formula and weight of Voxergolide?

The molecular formula of Voxergolide is C16H20N2OS and its molar mass is 288.42 g/mol.

What is Voxergolide used for?

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

Is Voxergolide hazardous?

No GHS hazard classification for Voxergolide 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 Voxergolide?

Voxergolide is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Voxergolide?

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

What is the price of Voxergolide?

Suppliers quote Voxergolide 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 Voxergolide

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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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