CompoundList
Sign in
Heterocyclic compounds

Edotecarin

Also known as Edotecarinum, Edotecarina, Edotecarine

CAS 174402-32-5Formula C29H28N4O11Molar mass 608.56 g/mol
Get quotes Safety data
Edotecarin chemical structure, C29H28N4O11, CAS 174402-32-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
174402-32-5
Formula
C29H28N4O11
Molar mass
608.56 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Edotecarin?

Plain description, key identifiers and synonyms

Edotecarin is a synthetic indolocarbazole with antineoplastic activity. Edotecarin inhibits the enzyme topoisomerase I through stabilization of the DNA-enzyme complex and enhanced single-strand DNA cleavage, resulting in inhibition of DNA replication and decreased tumor cell proliferation. (NCI04)

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
13-(1,3-dihydroxypropan-2-ylamino)-6,20-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
CAS number
174402-32-5 CAS number cross-checked
Molecular formula
C29H28N4O11
UNII
1V8X590XDP
InChIKey
QMVPQBFHUJZJCS-NTKFZFFISA-N
InChI
InChI=1S/C29H28N4O11/c34-7-10(8-35)31-33-27(42)20-18-13-3-1-11(37)5-15(13)30-22(18)23-19(21(20)28(33)43)14-4-2-12(38)6-16(14)32(23)29-26(41)25(40)24(39)17(9-36)44-29/h1-6,10,17,24-26,29-31,34-41H,7-9H2/t17-,24-,25+,26-,29-/m1/s1
Canonical SMILES
O=C1c2c(c3c4ccc(O)cc4n(C4OC(CO)C(O)C(O)C4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)CO
Isomeric SMILES
C1=CC2=C(C=C1O)NC3=C4C(=C5C(=C23)C(=O)N(C5=O)NC(CO)CO)C6=C(N4[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C=C(C=C6)O

Synonyms

  • Edotecarinum
  • Edotecarina
  • Edotecarine
  • 12-beta-D-glucopyranosyl-12,13-dihydro-2,10-dihydroxy-6-((2-hydroxy-1-(hydroxymethyl)ethyl)amino)-5H-indolo(2,3-a)pyrrolo(3,4-c)carbazole-5,7(6H)-dione
  • 5H-Indolo(2,3-a)pyrrolo(3,4-c)carbazole-5,7(6H)-dione, 12-beta-D-glucopyranosyl-12,13-dihydro-2,10-dihydroxy-6-((2-hydroxy-1-(hydroxymethyl)ethyl)amino)-
  • 6-N-(1-hydroxymethyl-2-hydroxy)ethylamino-12,13-dihydro-2,10-dihydroxy-13-glucopyranosyl-5H-indolo(2,3-a)pyrrolo(3,4-c)carbazole-5,7(6H)dione
  • 6-N-(1-hydroxymethyla-2-hydroxy)ethylamino-12,13-dihydro-13-(beta-D-gluco pyranosyl)-5H-indolo(2,3-a)-pyrrolol(3,4-c)-carbazole-5,7(6H)-dione
  • E'dotecarine
  • Edotecarin (USAN/INN)
  • J 107088, PF 804950
  • 12-beta-d-glucopyranosyl-2,10-dihydroxy-6-((1-hydroxy-1-(hydroxymethyl)ethyl)amino)-12,13-dihydro-6H-indolo(2,3-a)pyrrolo(3,4-c)carbazole-5,7-dione
  • 12-beta-D-Glucopyranosyl-2,10-dihydroxy-6-((2-hydroxy-1-(hydroxymethyl)ethyl)amino)-12,13-dihydro-6H-indolo(2,3-a)pyrrolo(3,4-c)carbazole-5,7-dione
  • 6-[(1,3-Dihydroxypropan-2-yl)amino]-12-beta-D-glucopyranosyl-2,10-dihydroxy-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(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
608.56 g/molcalc.
Exact mass
608.1755 Dacalc.
LogP (octanol/water)
-0.73calc.
Topological polar surface area
241.2 Ųcalc.
Hydrogen bond donors
10calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
6calc.
Heavy atoms
44calc.
Rings
7calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.31calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Fails (3 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=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1C1CCCCO1

O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1C1CCCCO1

7 rings, 31 atoms.

8 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.

Edotecarin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Edotecarin can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Edotecarin price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • pharmaceutical

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

Frequently asked questions

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

What is Edotecarin?

Edotecarin is a synthetic indolocarbazole with antineoplastic activity. Edotecarin inhibits the enzyme topoisomerase I through stabilization of the DNA-enzyme complex and enhanced single-strand DNA cleavage, resulting in inhibition of DNA replication and decreased tumor cell proliferation. (NCI04)

What is the CAS number of Edotecarin?

The CAS registry number of Edotecarin is 174402-32-5.

What is the molecular formula and weight of Edotecarin?

The molecular formula of Edotecarin is C29H28N4O11 and its molar mass is 608.56 g/mol.

What is Edotecarin used for?

Known uses and roles of Edotecarin include antineoplastic agent and pharmaceutical.

Is Edotecarin hazardous?

No GHS hazard classification for Edotecarin 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 Edotecarin?

Edotecarin 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 Edotecarin?

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

What is the price of Edotecarin?

Suppliers quote Edotecarin 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 Edotecarin

Get quotes for Edotecarin

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Edotecarin
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Edotecarin with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/edotecarin-174402-32-5" title="Edotecarin structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Heterocyclic compounds or HS code 293499

Price on request
Free quotes, contact stays private
Get quotes