Stephodeline (CAS 56596-12-4): price, suppliers and safety

What is Stephodeline?

Plain description, key identifiers and synonyms

(1R,9S,10S)-4,5,11,12-tetramethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one has been reported in Stephania cephalantha.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: (1R,9S,10S)-4,5,11,12-tetramethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one
CAS number: 56596-12-4
Molecular formula: C₂₁H₂₇NO₅
InChIKey: YRYHFXJRUQQCBR-XQAUZQBESA-N
InChI: InChI=1S/C21H27NO5/c1-22-7-6-21-11-15(23)19(26-4)20(27-5)18(21)14(22)8-12-9-16(24-2)17(25-3)10-13(12)21/h9-10,14,18H,6-8,11H2,1-5H3/t14-,18-,21-/m0/s1
Canonical SMILES: COC1=C(OC)C2C3Cc4cc(OC)c(OC)cc4C2(CCN3C)CC1=O
Isomeric SMILES: CN1CC[C@@]23CC(=O)C(=C([C@@H]2[C@@H]1CC4=CC(=C(C=C34)OC)OC)OC)OC

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	373.45 g/molcalc.
Exact mass	373.1889 Dacalc.
LogP (octanol/water)	2.3calc.
Topological polar surface area	57.23 Å²calc.
Hydrogen bond donors	0calc.
Hydrogen bond acceptors	6calc.
Rotatable bonds	4calc.
Heavy atoms	27calc.
Rings	4calc.
Aromatic rings	1calc.
Fraction sp3 carbons	0.57calc.
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

O=C1C=CC2C3Cc4ccccc4C2(CCN3)C1

4 rings, 18 atoms.

22 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.

Stephodeline suppliers

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Stephodeline 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

Industries and functions

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 Stephodeline 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

China30.5%
India * partner reported16.3%
Ireland9.0%

Top importers

* Partner reported figures, a lower bound.

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

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

Parent and salt forms, stereoisomers, similar structures and isomers

Stereoisomers and isotopic forms

Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)

(1S,9R,10S)-4,5,11,12-Tetramethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one chemical structure, C21H27NO5, CAS 56648-85-2

(1S,9R,10S)-4,5,11,12-Tetramethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one56648-85-2C₂₁H₂₇NO₅

(1R,9S,10R)-4,5,11,12-Tetramethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one chemical structure, C21H27NO5, CAS 123750-34-5

(1R,9S,10R)-4,5,11,12-Tetramethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one123750-34-5C₂₁H₂₇NO₅

TannagineC₂₁H₂₇NO₅

Same formula isomers

Different compounds that share this molecular formula

All isomers

3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro(4.5)dec-3-en-4-yl ethyl carbonate chemical structure, C21H27NO5, CAS 203313-25-1

3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro(4.5)dec-3-en-4-yl ethyl carbonate203313-25-1C₂₁H₂₇NO₅8 suppliers

7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one chemical structure, C21H27NO5, CAS 1805-85-2

7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one1805-85-2C₂₁H₂₇NO₅

N-Desmethyltrimebutine chemical structure, C21H27NO5, CAS 84333-59-5

N-Desmethyltrimebutine84333-59-5C₂₁H₂₇NO₅

Ritobegron chemical structure, C21H27NO5, CAS 255734-04-4

Ritobegron255734-04-4C₂₁H₂₇NO₅

2-Methyl-5-[4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]butyl]-1,3-dioxane-2-carboxylic acid chemical structure, C21H27NO5, CAS 377731-45-8

2-Methyl-5-[4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]butyl]-1,3-dioxane-2-carboxylic acid377731-45-8C₂₁H₂₇NO₅

1-Adamantyl[(3,5-dimethoxybenzoyl)amino]acetic acid chemical structure, C21H27NO5, CAS 349549-30-0

1-Adamantyl[(3,5-dimethoxybenzoyl)amino]acetic acid349549-30-0C₂₁H₂₇NO₅

[1-(2,6-Dimethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate chemical structure, C21H27NO5, CAS 1005146-22-4

[1-(2,6-Dimethylpiperidin-1-yl)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate1005146-22-4C₂₁H₂₇NO₅

3-(3,4-Dimethoxy-phenyl)-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-propionamide chemical structure, C21H27NO5, CAS 20944-13-2

3-(3,4-Dimethoxy-phenyl)-N-(2-(3,4-dimethoxy-phenyl)-ethyl)-propionamide20944-13-2C₂₁H₂₇NO₅

Dimethyl 4-(2-butoxyphenyl)-1-ethyl-4H-pyridine-3,5-dicarboxylate chemical structure, C21H27NO5, CAS 667414-66-6

Dimethyl 4-(2-butoxyphenyl)-1-ethyl-4H-pyridine-3,5-dicarboxylate667414-66-6C₂₁H₂₇NO₅

Methyl 3-butyryl-4-((4-methoxyphenyl)amino)-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate chemical structure, C21H27NO5, CAS 300731-03-7

Methyl 3-butyryl-4-((4-methoxyphenyl)amino)-6,6-dimethyl-2-oxocyclohex-3-enecarboxylate300731-03-7C₂₁H₂₇NO₅

2-Hydroxy-3-methoxy-6beta-naltrexol chemical structure, C21H27NO5, CAS 57355-35-8

2-Hydroxy-3-methoxy-6beta-naltrexol57355-35-8C₂₁H₂₇NO₅

6,7-Dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline chemical structure, C21H27NO5, CAS 22324-83-0

6,7-Dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline22324-83-0C₂₁H₂₇NO₅

Frequently asked questions

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

What is Stephodeline?

(1R,9S,10S)-4,5,11,12-tetramethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one has been reported in Stephania cephalantha.

What is the CAS number of Stephodeline?

The CAS registry number of Stephodeline is 56596-12-4.

What is the molecular formula and weight of Stephodeline?

The molecular formula of Stephodeline is C21H27NO5 and its molar mass is 373.45 g/mol.

What is Stephodeline used for?

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

Is Stephodeline hazardous?

No GHS hazard classification for Stephodeline 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 Stephodeline?

Stephodeline 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 Stephodeline?

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

What is the price of Stephodeline?

Suppliers quote Stephodeline 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 Stephodeline

Stephodeline

Key facts

What is Stephodeline?

Identifiers

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Stephodeline suppliers

Stephodeline price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Stephodeline?

What is the CAS number of Stephodeline?

What is the molecular formula and weight of Stephodeline?

What is Stephodeline used for?

Is Stephodeline hazardous?

What is the HS code of Stephodeline?

Where can I buy Stephodeline?

What is the price of Stephodeline?

Guides for buyers

Get quotes for Stephodeline

Key facts

What is Stephodeline?

Identifiers

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Stephodeline suppliers

Stephodeline price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Stereoisomers and isotopic forms

Same formula isomers

Frequently asked questions

What is Stephodeline?

What is the CAS number of Stephodeline?

What is the molecular formula and weight of Stephodeline?

What is Stephodeline used for?

Is Stephodeline hazardous?

What is the HS code of Stephodeline?

Where can I buy Stephodeline?

What is the price of Stephodeline?

Guides for buyers

Get quotes for Stephodeline