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Screening compounds

Duocarmycin sa

Also known as methyl (1R,12S)-7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate, Cyclopropa(c)pyrrolo(3,2-e)indole-6-carboxylic acid, 1,2,4,5,8,8a-hexahydro-4-oxo-2-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, (7bR)-, methyl (1R,12S)-7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo(7.4.0.01,12.02,6)trideca-2(6),3,8-triene-4-carboxylate

CAS 130288-24-3Formula C25H23N3O7Molar mass 477.47 g/mol
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Duocarmycin sa chemical structure, C25H23N3O7, CAS 130288-24-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
130288-24-3
Formula
C25H23N3O7
Molar mass
477.47 g/mol
HS code
293399
Category
Screening compounds

What is Duocarmycin sa?

Plain description, key identifiers and synonyms

Duocarmycin SA is an indolecarboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1R,12S)-7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
CAS number
130288-24-3 CAS number cross-checkedOther or deprecated CAS: 1609242-21-8
Molecular formula
C25H23N3O7
InChIKey
VQNATVDKACXKTF-XELLLNAOSA-N
InChI
InChI=1S/C25H23N3O7/c1-32-17-6-11-5-14(26-19(11)22(34-3)21(17)33-2)23(30)28-10-12-9-25(12)13-7-15(24(31)35-4)27-20(13)16(29)8-18(25)28/h5-8,12,26-27H,9-10H2,1-4H3/t12-,25-/m1/s1
Canonical SMILES
COC(=O)c1cc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4cc(OC)c(OC)c(OC)c4[nH]3)CC3CC123
Isomeric SMILES
COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)C6=C5C=C(N6)C(=O)OC)OC)OC

Synonyms

  • methyl (1R,12S)-7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
  • Cyclopropa(c)pyrrolo(3,2-e)indole-6-carboxylic acid, 1,2,4,5,8,8a-hexahydro-4-oxo-2-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-, methyl ester, (7bR)-
  • methyl (1R,12S)-7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo(7.4.0.01,12.02,6)trideca-2(6),3,8-triene-4-carboxylate
  • (+)-duocarmycin SA
  • Antibiotic DC113
  • duocarmycinsa
  • N6-[(Allylamino]carbonothioyl]lysine (AITC-Lys)
  • Methyl (3bR,4aS)-8-oxo-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,4,4a,5,6,8-hexahydrocyclopropa[c]pyrrolo[3,2-e]indole-2-carboxylate
  • Methyl (7bR,8aS)-4-oxo-2-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2,4,5,8,8a-hexahydrocyclopropa[c]pyrrolo[3,2-e]indole-6-carboxylate

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
477.47 g/molcalc.
Exact mass
477.1536 Dacalc.
LogP (octanol/water)
2.8calc.
Topological polar surface area
123 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
5calc.
Heavy atoms
35calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
2calc.
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=C2N(C(=O)c3cc4ccccc4[nH]3)CC3CC23c2cc[nH]c21

O=C1C=C2N(C(=O)c3cc4ccccc4[nH]3)CC3CC23c2cc[nH]c21

6 rings, 25 atoms.

4 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.

Duocarmycin sa suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 2 countries

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Duocarmycin sa 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

Pharmacological actions

  • Antibiotics, Antineoplastic
  • Antineoplastic Agents, Alkylating

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 Duocarmycin sa 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
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Duocarmycin sa, based on the data on this page

What is Duocarmycin sa?

Duocarmycin SA is an indolecarboxamide.

What is the CAS number of Duocarmycin sa?

The CAS registry number of Duocarmycin sa is 130288-24-3. Other or deprecated CAS numbers: 1609242-21-8.

What is the molecular formula and weight of Duocarmycin sa?

The molecular formula of Duocarmycin sa is C25H23N3O7 and its molar mass is 477.47 g/mol.

What is Duocarmycin sa used for?

Known uses and roles of Duocarmycin sa include building blocks in research and laboratory, screening compounds in research and laboratory, antibiotics, antineoplastic and antineoplastic agents, alkylating.

Is Duocarmycin sa hazardous?

No GHS hazard classification for Duocarmycin sa 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 Duocarmycin sa?

Duocarmycin sa 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 Duocarmycin sa?

CompoundList lists 3 suppliers of Duocarmycin sa in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Duocarmycin sa?

Suppliers quote Duocarmycin sa 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

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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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