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Screening compounds

Indimitecan

Also known as 5H-(1,3)Dioxolo(4',5':5,6)indeno(1,2-c)isoquinoline-5,12(6H)-dione, 6-(3-(1H-imidazol-1-xyl)propyl)-2,3-dimethoxy-, 20-(3-imidazol-1-ylpropyl)-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione, Indimitecan hydrochloride (LMP-776)

CAS 915360-05-3Formula C25H21N3O6Molar mass 459.46 g/mol
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Indimitecan chemical structure, C25H21N3O6, CAS 915360-05-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
915360-05-3
Formula
C25H21N3O6
Molar mass
459.46 g/mol
HS code
293499
Category
Screening compounds

What is Indimitecan?

Plain description, key identifiers and synonyms

Indimitecan is a chemical substance with the molecular formula C25H21N3O6 and a molar mass of 459.46 g/mol. Its CAS registry number is 915360-05-3. The IUPAC name is 20-(3-imidazol-1-ylpropyl)-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
20-(3-imidazol-1-ylpropyl)-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione
CAS number
915360-05-3 CAS number cross-checked
Molecular formula
C25H21N3O6
UNII
V5T7S4HP8A
InChIKey
GCILEJUNEYIABW-UHFFFAOYSA-N
InChI
InChI=1S/C25H21N3O6/c1-31-18-8-14-17(11-19(18)32-2)25(30)28(6-3-5-27-7-4-26-12-27)23-15-9-20-21(34-13-33-20)10-16(15)24(29)22(14)23/h4,7-12H,3,5-6,13H2,1-2H3
SMILES (canonical and isomeric)
COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6C=CN=C6)OC

Synonyms

  • 5H-(1,3)Dioxolo(4',5':5,6)indeno(1,2-c)isoquinoline-5,12(6H)-dione, 6-(3-(1H-imidazol-1-xyl)propyl)-2,3-dimethoxy-
  • 20-(3-imidazol-1-ylpropyl)-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione
  • Indimitecan hydrochloride (LMP-776)
  • US20240287089, Compound LMP776
  • 5H-(1,3)Dioxolo(4',5':5,6)indeno(1,2-c)isoquinoline-5,12(6H)-dione, 6-(3-(1H-imidazol-1-yl)propyl)-2,3-dimethoxy-
  • 6-(3-(1H-Imidazol-1-yl)propyl)-2,3-dimethoxy-5H-[1,3]dioxolo[4',5':5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione
  • 6-[3-(1H-Imidazol-1-yl)propyl]-2,3-dimethoxy-5H,9H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione

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
459.46 g/molcalc.
Exact mass
459.143 Dacalc.
LogP (octanol/water)
3.25calc.
Topological polar surface area
93.81 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
6calc.
Heavy atoms
34calc.
Rings
6calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.24calc.
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=C1c2cc3c(cc2-c2c1c1ccccc1c(=O)n2CCCn1ccnc1)OCO3

O=C1c2cc3c(cc2-c2c1c1ccccc1c(=O)n2CCCn1ccnc1)OCO3

6 rings, 30 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.

Indimitecan suppliers

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

Frequently asked questions

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

What is Indimitecan?

Indimitecan is a chemical substance with the molecular formula C25H21N3O6 and a molar mass of 459.46 g/mol. Its CAS registry number is 915360-05-3. The IUPAC name is 20-(3-imidazol-1-ylpropyl)-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione.

What is the CAS number of Indimitecan?

The CAS registry number of Indimitecan is 915360-05-3.

What is the molecular formula and weight of Indimitecan?

The molecular formula of Indimitecan is C25H21N3O6 and its molar mass is 459.46 g/mol.

What is Indimitecan used for?

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

Is Indimitecan hazardous?

No GHS hazard classification for Indimitecan 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 Indimitecan?

Indimitecan 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 Indimitecan?

CompoundList lists 1 supplier of Indimitecan. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Indimitecan?

Suppliers quote Indimitecan on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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