CompoundList
Sign in
Screening compounds

Duocarmycin TM

Also known as [(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone, CBI-TMI, (S)-(1-(Chloromethyl)-5-hydroxy-1,2-dihydro-3H-benzo[e]indol-3-yl)(5,6,7-trimethoxy-1H-indol-2-yl)methanone

CAS 157922-77-5Formula C25H23ClN2O5Molar mass 466.92 g/mol
2 suppliers listed
Get quotes Compare 2 suppliers
Duocarmycin TM chemical structure, C25H23ClN2O5, CAS 157922-77-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
157922-77-5
Formula
C25H23ClN2O5
Molar mass
466.92 g/mol
HS code
293399
Category
Screening compounds

What is Duocarmycin TM?

Plain description, key identifiers and synonyms

Duocarmycin TM is a chemical substance with the molecular formula C25H23ClN2O5 and a molar mass of 466.92 g/mol. Its CAS registry number is 157922-77-5. The IUPAC name is [(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
CAS number
157922-77-5
Molecular formula
C25H23ClN2O5
MDL number
MFCD28968741
InChIKey
NRHDGIYFJJUFKN-CQSZACIVSA-N
InChI
InChI=1S/C25H23ClN2O5/c1-31-20-9-13-8-17(27-22(13)24(33-3)23(20)32-2)25(30)28-12-14(11-26)21-16-7-5-4-6-15(16)19(29)10-18(21)28/h4-10,14,27,29H,11-12H2,1-3H3/t14-/m1/s1
Canonical SMILES
COc1cc2cc(C(=O)N3CC(CCl)c4c3cc(O)c3ccccc43)[nH]c2c(OC)c1OC
Isomeric SMILES
COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3C[C@H](C4=C3C=C(C5=CC=CC=C54)O)CCl)OC)OC

Synonyms

  • [(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
  • CBI-TMI
  • (S)-(1-(Chloromethyl)-5-hydroxy-1,2-dihydro-3H-benzo[e]indol-3-yl)(5,6,7-trimethoxy-1H-indol-2-yl)methanone
  • Duocarmycin TM?
  • (1S)-1-(chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1H,2H,3H-benzo[e]indol-5-ol

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
466.92 g/molcalc.
Exact mass
466.1296 Dacalc.
LogP (octanol/water)
5.04calc.
Topological polar surface area
84.02 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
33calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.24calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (1 violation)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=C(c1cc2ccccc2[nH]1)N1CCc2c1ccc1ccccc21

O=C(c1cc2ccccc2[nH]1)N1CCc2c1ccc1ccccc21

5 rings, 24 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 TM suppliers

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

All 2 suppliers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

2 suppliers in 1 country

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Choose suppliersPost a request

Duocarmycin TM 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

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

Frequently asked questions

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

What is Duocarmycin TM?

Duocarmycin TM is a chemical substance with the molecular formula C25H23ClN2O5 and a molar mass of 466.92 g/mol. Its CAS registry number is 157922-77-5. The IUPAC name is [(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone.

What is the CAS number of Duocarmycin TM?

The CAS registry number of Duocarmycin TM is 157922-77-5.

What is the molecular formula and weight of Duocarmycin TM?

The molecular formula of Duocarmycin TM is C25H23ClN2O5 and its molar mass is 466.92 g/mol.

What is Duocarmycin TM used for?

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

Is Duocarmycin TM hazardous?

No GHS hazard classification for Duocarmycin TM 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 TM?

Duocarmycin TM 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 TM?

CompoundList lists 2 suppliers of Duocarmycin TM in China. 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 TM?

Suppliers quote Duocarmycin TM 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 Duocarmycin TM

Get quotes for Duocarmycin TM

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Duocarmycin TM
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 Duocarmycin TM 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/duocarmycin-tm-157922-77-5" title="Duocarmycin TM 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 Screening compounds or HS code 293399

2 suppliers
Free quotes, contact stays private
Get quotes