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Screening compounds

Staphidine

Also known as Staphimine, 19,21-dihydro-21-methyl-, Staphimine,21-dihydro-21-methyl-, tetramethyl-[?],[?]-spirobi[[?]]

CAS 59588-15-7Formula C42H58N2OMolar mass 606.94 g/mol
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Staphidine chemical structure, C42H58N2O, CAS 59588-15-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
59588-15-7
Formula
C42H58N2O
Molar mass
606.94 g/mol
HS code
293499
Category
Screening compounds

What is Staphidine?

Plain description, key identifiers and synonyms

staphidine has been reported in Staphisagria macrosperma.

Staphidine is a staphidine is an alkaloid found in Delphinium species.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5,5',7,7'-tetramethylspiro[20-oxa-7-azaheptacyclo[13.6.1.15,9.01,12.04,11.014,16.016,21]tricosa-4(11),12-diene-19,12'-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecane]
CAS number
59588-15-7
Molecular formula
C42H58N2O
InChIKey
MIQIFBIWUBAPTB-UHFFFAOYSA-N
InChI
InChI=1S/C42H58N2O/c1-36-8-5-9-42-32(36)7-11-39-21-40(25(16-33(39)42)15-30(39)34(42)44(4)23-36)12-13-41-29-17-28-26-14-24-18-37(2,22-43(3)20-24)27(26)6-10-38(28,19-31(29)41)35(41)45-40/h17,24-25,29-35H,5-16,18-23H2,1-4H3
SMILES (canonical and isomeric)
CC12CCCC34C1CCC56C3CC(CC5C4N(C2)C)C7(C6)CCC89C1C8C=C2C3=C(CCC2(C1)C9O7)C1(CC(C3)CN(C1)C)C

Synonyms

  • Staphimine, 19,21-dihydro-21-methyl-
  • Staphimine,21-dihydro-21-methyl-
  • tetramethyl-[?],[?]-spirobi[[?]]

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
606.94 g/molcalc.
Exact mass
606.4549 Dacalc.
LogP (octanol/water)
7.87calc.
Topological polar surface area
15.71 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
45calc.
Rings
15calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.91calc.
Formal charge
0calc.
Stereocentres
16calc.
Lipinski rule of five
Fails (2 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=C2C3=C(CCC24CC2C1C21CCC2(CC56CCC7C8CCCC79C(NC8)C5CC2CC69)OC41)C1CNCC(C3)C1

C1=C2C3=C(CCC24CC2C1C21CCC2(CC56CCC7C8CCCC79C(NC8)C5CC2CC69)OC41)C1CNCC(C3)C1

15 rings, 41 atoms.

2 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.

Staphidine suppliers

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

Frequently asked questions

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

What is Staphidine?

staphidine has been reported in Staphisagria macrosperma.

What is the CAS number of Staphidine?

The CAS registry number of Staphidine is 59588-15-7.

What is the molecular formula and weight of Staphidine?

The molecular formula of Staphidine is C42H58N2O and its molar mass is 606.94 g/mol.

What is Staphidine used for?

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

Is Staphidine hazardous?

No GHS hazard classification for Staphidine 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 Staphidine?

Staphidine 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 Staphidine?

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

What is the price of Staphidine?

Suppliers quote Staphidine 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 Staphidine

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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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