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Screening compounds

VM 55596

Also known as Paraherquamide, 31-oxide, N-Oxide paraherquamide

CAS 141137-59-9Formula C28H35N3O6Molar mass 509.60 g/mol
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VM 55596 chemical structure, C28H35N3O6, CAS 141137-59-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
141137-59-9
Formula
C28H35N3O6
Molar mass
509.60 g/mol
HS code
293499
Category
Screening compounds

What is VM 55596?

Plain description, key identifiers and synonyms

VM55596 is an azaspiro compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1'S,6'R,7'R,8R,9'S)-6'-hydroxy-4,4,6',10',10',13'-hexamethyl-3'-oxidospiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-13-aza-3-azoniatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,14'-dione
CAS number
141137-59-9
Molecular formula
C28H35N3O6
InChIKey
IFVZXHLMGGKUOX-APYVQCPJSA-N
InChI
InChI=1S/C28H35N3O6/c1-23(2)10-12-36-20-17(37-23)8-7-16-19(20)29-21(32)27(16)14-26-15-31(35)11-9-25(5,34)28(31,22(33)30(26)6)13-18(26)24(27,3)4/h7-8,10,12,18,34H,9,11,13-15H2,1-6H3,(H,29,32)/t18-,25+,26+,27+,28-,31?/m0/s1
Canonical SMILES
CN1C(=O)C23CC4C1(CC1(C(=O)Nc5c1ccc1c5OC=CC(C)(C)O1)C4(C)C)C[N+]2([O-])CCC3(C)O
Isomeric SMILES
C[C@]1(CC[N+]2([C@]13C[C@@H]4[C@](C2)(C[C@@]5(C4(C)C)C6=C(C7=C(C=C6)OC(C=CO7)(C)C)NC5=O)N(C3=O)C)[O-])O

Synonyms

  • Paraherquamide, 31-oxide
  • N-Oxide paraherquamide

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
509.60 g/molcalc.
Exact mass
509.2526 Dacalc.
LogP (octanol/water)
2.81calc.
Topological polar surface area
111.2 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
0calc.
Heavy atoms
37calc.
Rings
8calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
6calc.
Lipinski rule of five
Passes (1 violation)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, O=C1Nc2c(ccc3c2OC=CCO3)C12CC1CC34CCCN3CC1(C2)NC4=O

O=C1Nc2c(ccc3c2OC=CCO3)C12CC1CC34CCCN3CC1(C2)NC4=O

8 rings, 29 atoms.

3 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.

VM 55596 suppliers

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VM 55596 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

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 VM 55596 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 VM 55596 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about VM 55596, based on the data on this page

What is VM 55596?

VM55596 is an azaspiro compound.

What is the CAS number of VM 55596?

The CAS registry number of VM 55596 is 141137-59-9.

What is the molecular formula and weight of VM 55596?

The molecular formula of VM 55596 is C28H35N3O6 and its molar mass is 509.60 g/mol.

What is VM 55596 used for?

Known uses and roles of VM 55596 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is VM 55596 hazardous?

No GHS hazard classification for VM 55596 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 VM 55596?

VM 55596 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 VM 55596?

Post a free request on CompoundList and suppliers of VM 55596 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of VM 55596?

Suppliers quote VM 55596 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 VM 55596

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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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