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Heterocyclic compounds

Lavendamycin

Also known as 1-(7-amino-5,8-dioxoquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylic acid, 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(7-amino-5,8-dihydro-5,8-dioxo-2-quinolinyl)-4-methyl-, 1-(7-amino-5,8-dioxoquinolin-2-yl)-4-methyl-9H-pyrido(3,4-b)indole-3-carboxylic acid

CAS 81645-09-2Formula C22H14N4O4Molar mass 398.38 g/mol
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Lavendamycin chemical structure, C22H14N4O4, CAS 81645-09-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
81645-09-2
Formula
C22H14N4O4
Molar mass
398.38 g/mol
HS code
293349
Category
Heterocyclic compounds

What is Lavendamycin?

Plain description, key identifiers and synonyms

Lavendamycin is a harmala alkaloid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(7-amino-5,8-dioxoquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
CAS number
81645-09-2 CAS number cross-checked
Molecular formula
C22H14N4O4
UNII
XL8988YP79
InChIKey
IGQJRDIREIWBQP-UHFFFAOYSA-N
InChI
InChI=1S/C22H14N4O4/c1-9-16-10-4-2-3-5-13(10)24-20(16)19(26-17(9)22(29)30)14-7-6-11-15(27)8-12(23)21(28)18(11)25-14/h2-8,24H,23H2,1H3,(H,29,30)
SMILES (canonical and isomeric)
CC1=C2C3=CC=CC=C3NC2=C(N=C1C(=O)O)C4=NC5=C(C=C4)C(=O)C=C(C5=O)N

Synonyms

  • 1-(7-amino-5,8-dioxoquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
  • 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(7-amino-5,8-dihydro-5,8-dioxo-2-quinolinyl)-4-methyl-
  • 1-(7-amino-5,8-dioxoquinolin-2-yl)-4-methyl-9H-pyrido(3,4-b)indole-3-carboxylic acid
  • 1-(7-Amino-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
  • 1-(7-Amino-5,8-dihydro-5,8-dioxo-2-quinolinyl)-4-methyl-9H-pyrido(3,4-b)indole-3-carboxylic acid

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
398.38 g/molcalc.
Exact mass
398.1015 Dacalc.
LogP (octanol/water)
3.01calc.
Topological polar surface area
139 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
30calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.05calc.
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

Murcko scaffold of this chemical, O=C1C=CC(=O)c2nc(-c3nccc4c3[nH]c3ccccc34)ccc21

O=C1C=CC(=O)c2nc(-c3nccc4c3[nH]c3ccccc34)ccc21

5 rings, 25 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.

Lavendamycin suppliers

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Lavendamycin 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Lavendamycin is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Lavendamycin?

Lavendamycin is a harmala alkaloid.

What is the CAS number of Lavendamycin?

The CAS registry number of Lavendamycin is 81645-09-2.

What is the molecular formula and weight of Lavendamycin?

The molecular formula of Lavendamycin is C22H14N4O4 and its molar mass is 398.38 g/mol.

Is Lavendamycin hazardous?

No GHS hazard classification for Lavendamycin 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 Lavendamycin?

Lavendamycin is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Lavendamycin?

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What is the price of Lavendamycin?

Suppliers quote Lavendamycin 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 Lavendamycin

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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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