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Heterocyclic compounds

Migril

Also known as Migral

CAS 86498-65-9Formula C96H109ClN16O18Molar mass 1,810.48 g/mol
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Migril chemical structure, C96H109ClN16O18, CAS 86498-65-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
86498-65-9
Formula
C96H109ClN16O18
Molar mass
1,810.48 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Migril?

Plain description, key identifiers and synonyms

Migril is a chemical substance with the molecular formula C96H109ClN16O18 and a molar mass of 1,810.48 g/mol. Its CAS registry number is 86498-65-9. The IUPAC name is bis((6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide), 1-benzhydryl-4-methylpiperazine, (2R,3R)-2,3-dihydroxybutanedioic acid, 1,3,7-trimethylpurine-2,6-dione, hydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
bis((6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide), 1-benzhydryl-4-methylpiperazine, (2R,3R)-2,3-dihydroxybutanedioic acid, 1,3,7-trimethylpurine-2,6-dione, hydrochloride
CAS number
86498-65-9
Molecular formula
C96H109ClN16O18
InChIKey
BYJYIKWMABSTKJ-ZNYNAASMSA-N
InChI
InChI=1S/2C33H35N5O5.C18H22N2.C8H10N4O2.C4H6O6.ClH/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;5-1(3(7)8)2(6)4(9)10;/h2*3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);2-11,18H,12-15H2,1H3;4H,1-3H3;1-2,5-6H,(H,7,8)(H,9,10);1H/t2*21-,25-,26+,27+,32-,33+;;;1-,2-;/m11..1./s1
Canonical SMILES
CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)CC21.CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)CC21.CN1CCN(C(c2ccccc2)c2ccccc2)CC1.Cl.Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)C(O)C(O)C(=O)O
Isomeric SMILES
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.Cl

Synonyms

  • Migral

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
1,810.48 g/molcalc.
Exact mass
1,808.7794 Dacalc.
LogP (octanol/water)
4.27calc.
Topological polar surface area
419.8 Ųcalc.
Hydrogen bond donors
10calc.
Hydrogen bond acceptors
21calc.
Rotatable bonds
14calc.
Heavy atoms
131calc.
Rings
21calc.
Aromatic rings
10calc.
Fraction sp3 carbons
0.41calc.
Formal charge
0calc.
Stereocentres
14calc.
Components
6calc.
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, O=C(NC1OC2C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O)C1C=C2c3cccc4[nH]cc(c34)CC2NC1

O=C(NC1OC2C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O)C1C=C2c3cccc4[nH]cc(c34)CC2NC1

8 rings, 40 atoms.

28 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.

Migril suppliers

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

Frequently asked questions

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

What is Migril?

Migril is a chemical substance with the molecular formula C96H109ClN16O18 and a molar mass of 1,810.48 g/mol. Its CAS registry number is 86498-65-9.

What is the CAS number of Migril?

The CAS registry number of Migril is 86498-65-9.

What is the molecular formula and weight of Migril?

The molecular formula of Migril is C96H109ClN16O18 and its molar mass is 1,810.48 g/mol.

Is Migril hazardous?

No GHS hazard classification for Migril 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 Migril?

Migril 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 Migril?

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What is the price of Migril?

Suppliers quote Migril 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 Migril

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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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