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Heterocyclic building blocks

Dota-dbco

Also known as DBCO-EN-DOTA

CAS 3053227-76-9Formula C37H47N7O9Molar mass 733.82 g/mol
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Dota-dbco chemical structure, C37H47N7O9, CAS 3053227-76-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3053227-76-9
Formula
C37H47N7O9
Molar mass
733.82 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Dota-dbco?

Plain description, key identifiers and synonyms

Dota-dbco is a chemical substance with the molecular formula C37H47N7O9 and a molar mass of 733.82 g/mol. Its CAS registry number is 3053227-76-9. The IUPAC name is 2-[4-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[4-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CAS number
3053227-76-9
Molecular formula
C37H47N7O9
InChIKey
ZVPDFPBSFQFYAV-UHFFFAOYSA-N
InChI
InChI=1S/C37H47N7O9/c45-32(11-12-34(47)44-23-30-7-2-1-5-28(30)9-10-29-6-3-4-8-31(29)44)38-13-14-39-33(46)24-40-15-17-41(25-35(48)49)19-21-43(27-37(52)53)22-20-42(18-16-40)26-36(50)51/h1-8H,11-27H2,(H,38,45)(H,39,46)(H,48,49)(H,50,51)(H,52,53)
SMILES (canonical and isomeric)
C1CN(CCN(CCN(CCN1CC(=O)NCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42)CC(=O)O)CC(=O)O)CC(=O)O

Synonyms

  • DBCO-EN-DOTA

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
733.82 g/molcalc.
Exact mass
733.3435 Dacalc.
LogP (octanol/water)
-0.58calc.
Topological polar surface area
203.4 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
14calc.
Heavy atoms
53calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
0calc.
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(CCC(=O)N1Cc2ccccc2C#Cc2ccccc21)NCCNC(=O)CN1CCNCCNCCNCC1

O=C(CCC(=O)N1Cc2ccccc2C#Cc2ccccc21)NCCNC(=O)CN1CCNCCNCCNCC1

4 rings, 41 atoms.

No other chemical in our database has 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.

Dota-dbco suppliers

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

All 2 suppliers
  • Lumiprobe Corporation
    United States, WestminsterUnclaimed profile
    Dota-dbcoGrade, purity and minimum order on request
    Price on request
    View
  • PurePEG, LLC
    United States, San DiegoUnclaimed profile
    Dota-dbcoGrade, purity and minimum order on request
    Price on request
    View

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

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

Frequently asked questions

Quick answers about Dota-dbco, based on the data on this page

What is Dota-dbco?

Dota-dbco is a chemical substance with the molecular formula C37H47N7O9 and a molar mass of 733.82 g/mol. Its CAS registry number is 3053227-76-9.

What is the CAS number of Dota-dbco?

The CAS registry number of Dota-dbco is 3053227-76-9.

What is the molecular formula and weight of Dota-dbco?

The molecular formula of Dota-dbco is C37H47N7O9 and its molar mass is 733.82 g/mol.

What is Dota-dbco used for?

Known uses and roles of Dota-dbco include building blocks in research and laboratory.

Is Dota-dbco hazardous?

No GHS hazard classification for Dota-dbco 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 Dota-dbco?

Dota-dbco 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 Dota-dbco?

CompoundList lists 2 suppliers of Dota-dbco in 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 Dota-dbco?

Suppliers quote Dota-dbco 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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