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Heterocyclic compounds

Limptar

Also known as 3,7-dimethylpurine-2,6-dione, ethane-1,2-diamine, (R)-[(2S,4R,6S)-6-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol, sulfuric acid

CAS 77944-87-7Formula C58H82N16O12SMolar mass 1,227.46 g/mol
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Limptar chemical structure, C58H82N16O12S, CAS 77944-87-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
77944-87-7
Formula
C58H82N16O12S
Molar mass
1,227.46 g/mol
HS code
293349
Category
Heterocyclic compounds

What is Limptar?

Plain description, key identifiers and synonyms

Limptar is a chemical substance with the molecular formula C58H82N16O12S and a molar mass of 1,227.46 g/mol. Its CAS registry number is 77944-87-7. The IUPAC name is bis(3,7-dimethylpurine-2,6-dione), bis(ethane-1,2-diamine), bis((R)-[(2S,4R,6S)-6-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol), sulfuric acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
bis(3,7-dimethylpurine-2,6-dione), bis(ethane-1,2-diamine), bis((R)-[(2S,4R,6S)-6-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol), sulfuric acid
CAS number
77944-87-7
Molecular formula
C58H82N16O12S
InChIKey
TYOYYEQGCDDSSI-AKQOMOBWSA-N
InChI
InChI=1S/2C20H24N2O2.2C7H8N4O2.2C2H8N2.H2O4S/c2*1-3-14-10-13-7-9-22(14)19(11-13)20(23)16-6-8-21-18-5-4-15(24-2)12-17(16)18;2*1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;2*3-1-2-4;1-5(2,3)4/h2*3-6,8,12-14,19-20,23H,1,7,9-11H2,2H3;2*3H,1-2H3,(H,9,12,13);2*1-4H2;(H2,1,2,3,4)/t2*13-,14-,19+,20-;;;;;/m11...../s1
Canonical SMILES
C=CC1CC2CCN1C(C(O)c1ccnc3ccc(OC)cc13)C2.C=CC1CC2CCN1C(C(O)c1ccnc3ccc(OC)cc13)C2.Cn1cnc2c1c(=O)[nH]c(=O)n2C.Cn1cnc2c1c(=O)[nH]c(=O)n2C.NCCN.NCCN.O=S(=O)(O)O
Isomeric SMILES
CN1C=NC2=C1C(=O)NC(=O)N2C.CN1C=NC2=C1C(=O)NC(=O)N2C.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3[C@@H](C4)C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3[C@@H](C4)C=C)O.C(CN)N.C(CN)N.OS(=O)(=O)O

Synonyms

  • 3,7-dimethylpurine-2,6-dione, ethane-1,2-diamine, (R)-[(2S,4R,6S)-6-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol, sulfuric acid

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
1,227.46 g/molcalc.
Exact mass
1,226.6019 Dacalc.
LogP (octanol/water)
1.71calc.
Topological polar surface area
415.2 Ųcalc.
Hydrogen bond donors
10calc.
Hydrogen bond acceptors
20calc.
Rotatable bonds
10calc.
Heavy atoms
87calc.
Rings
14calc.
Aromatic rings
8calc.
Fraction sp3 carbons
0.45calc.
Formal charge
0calc.
Stereocentres
10calc.
Components
7calc.
Lipinski rule of five
Fails (3 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(CC3CC4CCN3CC4)ccnc2c1

c1ccc2c(CC3CC4CCN3CC4)ccnc2c1

5 rings, 19 atoms.

518 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.

Limptar suppliers

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Limptar 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Limptar is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Limptar?

Limptar is a chemical substance with the molecular formula C58H82N16O12S and a molar mass of 1,227.46 g/mol. Its CAS registry number is 77944-87-7.

What is the CAS number of Limptar?

The CAS registry number of Limptar is 77944-87-7.

What is the molecular formula and weight of Limptar?

The molecular formula of Limptar is C58H82N16O12S and its molar mass is 1,227.46 g/mol.

Is Limptar hazardous?

No GHS hazard classification for Limptar 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 Limptar?

Limptar is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Limptar?

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What is the price of Limptar?

Suppliers quote Limptar 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 Limptar

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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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