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Screening compounds

Delequamine

Also known as DMMIN, Delecuamina, 5,8,8a,9,10,11,12,12a,13,13a-Decahydro-3-methoxy-12-(methylsulfonyl)-6H-isoquino(2,1-g)(1,6)naphthyridine

CAS 119905-05-4Formula C18H26N2O3SMolar mass 350.48 g/mol
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Delequamine chemical structure, C18H26N2O3S, CAS 119905-05-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
119905-05-4
Formula
C18H26N2O3S
Molar mass
350.48 g/mol
HS code
293590
Category
Screening compounds

What is Delequamine?

Plain description, key identifiers and synonyms

Delequamine is a chemical substance with the molecular formula C18H26N2O3S and a molar mass of 350.48 g/mol. Its CAS registry number is 119905-05-4. The IUPAC name is (8aR,12aS,13aS)-3-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(8aR,12aS,13aS)-3-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
CAS number
119905-05-4Other or deprecated CAS: 119813-87-5
Molecular formula
C18H26N2O3S
UNII
L37HF85G8S
InChIKey
JKDBLHWERQWYKF-JLSDUUJJSA-N
InChI
InChI=1S/C18H26N2O3S/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3/t14-,17+,18+/m1/s1
Canonical SMILES
COc1ccc2c(c1)CCN1CC3CCCN(S(C)(=O)=O)C3CC21
Isomeric SMILES
COC1=CC2=C(C=C1)[C@@H]3C[C@H]4[C@H](CCCN4S(=O)(=O)C)CN3CC2

Synonyms

  • DMMIN
  • Delecuamina
  • 5,8,8a,9,10,11,12,12a,13,13a-Decahydro-3-methoxy-12-(methylsulfonyl)-6H-isoquino(2,1-g)(1,6)naphthyridine
  • delequaminum
  • RS 15385-197
  • (8aR,12aS,13aS)-3-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
  • rel-Delequamine
  • RS 15385
  • (8aR,12aS,13aS)-3-methoxy-12-methanesulfonyl-5,6,8a,9,10,11,12,12a,13,13a-decahydro-8H-isoquino[2,1-g][1,6]naphthyridine
  • (8Ar,12as,13as)-5,8,8a,9,10,11,12,12a,13,13a-decahydro-3-methoxy-12-(methylsulfonyl)-6H-isoquino(2,1-g)(1,6)naphthyridine
  • 6H-Isoquino(2,1-g)(1,6)naphthyridine, 5,8,8a,9,10,11,12,12a,13,13a-decahydro-3-methoxy-12-(methylsulfonyl)-, (8aalpha,12aalpha,13aalpha)- (+-)-
  • 6H-isoquino[2,1-g][1,6]naphthyridine, 5,8,8a,9,10,11,12,12a,13,13a-decahydro-3-methoxy-12-(methylsulfonyl)-, (8aR,12aS,13aS)-
  • rel-(8aR,12aS,13aS)-3-methoxy-12-(methylsulfonyl)-5,8,8a,9,10,11,12,12a,13,13a-decahydro-6H-isoquino[2,1-g]-1,6-naphthyridine
  • rel-(8aR,12aS,13aS)-5,8,8a,9,10,11,12,12a,13,13a-Decahydro-3-methoxy-12-(methylsulfonyl)-6H-isoquino[2,1-g][1,6]naphthyridine

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
350.48 g/molcalc.
Exact mass
350.1664 Dacalc.
LogP (octanol/water)
2.04calc.
Topological polar surface area
49.85 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
24calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
3calc.
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, c1ccc2c(c1)CCN1CC3CCCNC3CC21

c1ccc2c(c1)CCN1CC3CCCNC3CC21

4 rings, 18 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.

Delequamine suppliers

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Delequamine 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 Delequamine is traded under.

HS 2935.90Indicative HS code

Sulphonamides, other

World exports in 2024
$5.64B
−11.0% vs 2023, imports $8.56B
2019 to 2024
Top exporters
  1. Ireland43.1%
  2. China12.0%
  3. India * partner reported9.5%
Top importers
  1. United States23.6%
  2. Slovenia19.1%
  3. Spain11.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Delequamine?

Delequamine is a chemical substance with the molecular formula C18H26N2O3S and a molar mass of 350.48 g/mol. Its CAS registry number is 119905-05-4. The IUPAC name is (8aR,12aS,13aS)-3-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine.

What is the CAS number of Delequamine?

The CAS registry number of Delequamine is 119905-05-4. Other or deprecated CAS numbers: 119813-87-5.

What is the molecular formula and weight of Delequamine?

The molecular formula of Delequamine is C18H26N2O3S and its molar mass is 350.48 g/mol.

What is Delequamine used for?

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

Is Delequamine hazardous?

No GHS hazard classification for Delequamine 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 Delequamine?

Delequamine is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Delequamine?

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What is the price of Delequamine?

Suppliers quote Delequamine 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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