Dehydroevodiamine

Also known as 21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,15,17,19-octaen-14-one, 21-methyl-3,13,21-triazapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-1,3,5,7,9,15,17,19-octaen-14-one, 21-methyl-3,13-diaza-21-azoniapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one

CAS 67909-49-3Formula C₁₉H₁₅N₃OMolar mass 301.35 g/mol

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2D chemical structure

Key facts

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All properties

CAS number: 67909-49-3
Formula: C₁₉H₁₅N₃O
Molar mass: 301.35 g/mol
HS code: 293359
Category: Screening compounds

What is Dehydroevodiamine?

Plain description, key identifiers and synonyms

21-methyl-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1,3,5,7,9,15,17,19-octaen-14-one has been reported in Tetradium ruticarpum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: 21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,15,17,19-octaen-14-one
CAS number: 67909-49-3Other or deprecated CAS: 64837-01-0
Molecular formula: C₁₉H₁₅N₃O
UNII: 8NT3HW64V9
MDL number: MFCD11656140
InChIKey: VXHNSVKJHXSKKM-UHFFFAOYSA-N
InChI: InChI=1S/C19H15N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9H,10-11H2,1H3
SMILES (canonical and isomeric): CN1C2=CC=CC=C2C(=O)N3C1=C4C(=C5C=CC=CC5=N4)CC3

Synonyms

21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,15,17,19-octaen-14-one
21-methyl-3,13,21-triazapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-1,3,5,7,9,15,17,19-octaen-14-one
21-methyl-3,13-diaza-21-azoniapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
Indolo(2',3':3,4)pyrido(2,1-b)quinazolinium, 5,7,8,13-tetrahydro-14-methyl-5-oxo-, hydroxide, inner salt
14-Methyl-5-oxo-7,8-dihydro-5H-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-14-ium-13-ide
Evodiamine, dehydro-
14-Methyl-5-oxo-7,8-dihydro-5H-indolo[2',3':3,4]-pyrido[2,1-b]quinazolin-14-ium-13-ide
Indolo[2',3':3,4]pyrido[2,1-b]quinazolinium, 5,7,8,13-tetrahydro-14-methyl-5-oxo-, inner salt
14-Methyl-8,14-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one
8,13-Dihydro-14-methyl-5-oxoindolo[2',3':3,4]pyrido[2,1-b]quinazolinium inner salt
21-methyl-14-oxo-3,13,21-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1(21),2(10),4(9),5,7,15(20),16,18-octaen-21-ium-3-ide
21-methyl-3,13,21-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1,3,5,7,9,15(20),16,18-octaen-14-one

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	301.35 g/molcalc.
Exact mass	301.1215 Dacalc.
LogP (octanol/water)	1.64calc.
Topological polar surface area	35.91 Å²calc.
Hydrogen bond donors	0calc.
Hydrogen bond acceptors	3calc.
Rotatable bonds	0calc.
Heavy atoms	23calc.
Rings	5calc.
Aromatic rings	2calc.
Fraction sp3 carbons	0.16calc.
Formal charge	0calc.
Stereocentres	0calc.
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=C1c2ccccc2NC2=C3N=c4ccccc4=C3CCN12

5 rings, 22 atoms.

1 other chemical 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.

Dehydroevodiamine suppliers

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All 2 suppliers

Chengdu Alfa Biotechnology Co., Ltd.
China, Chengdu ManufacturerUnclaimed profile
DehydroevodiamineGrade, purity and minimum order on request
Price on request
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Biopurify Phytochemicals
China, ChengduUnclaimed profile
DehydroevodiamineGrade, purity and minimum order on request
Price on request
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2 suppliers in 1 country

China2

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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 Dehydroevodiamine is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024

$18.4B

+10.5% vs 2023, imports $24.8B

2019 to 2024

Top exporters

Ireland43.6%
Switzerland * partner reported26.3%
China7.9%

Top importers

* Partner reported figures, a lower bound.

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

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

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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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Key facts

What is Dehydroevodiamine?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Dehydroevodiamine suppliers

Where suppliers are based

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Dehydroevodiamine price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Salt and hydrate forms

Same formula isomers

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