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Heterocyclic building blocks

Duopect

CAS 76404-10-9Formula C32H38ClNO12Molar mass 664.10 g/mol
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Duopect chemical structure, C32H38ClNO12, CAS 76404-10-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
76404-10-9
Formula
C32H38ClNO12
Molar mass
664.10 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Duopect?

Plain description, key identifiers and synonyms

Duopect is a chemical substance with the molecular formula C32H38ClNO12 and a molar mass of 664.10 g/mol. Its CAS registry number is 76404-10-9. The IUPAC name is (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one, 1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol, hydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one, 1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol, hydrochloride
CAS number
76404-10-9 CAS number cross-checked
Molecular formula
C32H38ClNO12
InChIKey
VTQRVURBARCSPK-WCRQIBMVSA-N
InChI
InChI=1S/C22H23NO7.C10H14O5.ClH/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18;1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11;/h5-6,9,17-18H,7-8,10H2,1-4H3;2-4,8,10-14H,5H2,1H3;1H/t17-,18+;;/m1../s1
Canonical SMILES
COc1cc(C(O)C(O)CO)ccc1O.COc1ccc2c(c1OC)C(=O)OC2C1c2c(cc3c(c2OC)OCO3)CCN1C.Cl
Isomeric SMILES
CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3.COC1=C(C=CC(=C1)C(C(CO)O)O)O.Cl

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
664.10 g/molcalc.
Exact mass
663.2083 Dacalc.
LogP (octanol/water)
3.09calc.
Topological polar surface area
165.8 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
8calc.
Heavy atoms
46calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.41calc.
Formal charge
0calc.
Stereocentres
4calc.
Components
3calc.
Lipinski rule of five
Fails (2 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=C1OC(C2NCCc3cc4c(cc32)OCO4)c2ccccc21

O=C1OC(C2NCCc3cc4c(cc32)OCO4)c2ccccc21

5 rings, 23 atoms.

40 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.

Duopect suppliers

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Duopect price

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

Frequently asked questions

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

What is Duopect?

Duopect is a chemical substance with the molecular formula C32H38ClNO12 and a molar mass of 664.10 g/mol. Its CAS registry number is 76404-10-9.

What is the CAS number of Duopect?

The CAS registry number of Duopect is 76404-10-9.

What is the molecular formula and weight of Duopect?

The molecular formula of Duopect is C32H38ClNO12 and its molar mass is 664.10 g/mol.

What is Duopect used for?

Known uses and roles of Duopect include building blocks in research and laboratory.

Is Duopect hazardous?

No GHS hazard classification for Duopect 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 Duopect?

Duopect 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 Duopect?

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

What is the price of Duopect?

Suppliers quote Duopect 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 Duopect

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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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