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Screening compounds

MappianineA

Also known as Mappianine A

CAS 2156608-27-2Formula C22H20N2O8Molar mass 440.41 g/mol
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MappianineA chemical structure, C22H20N2O8, CAS 2156608-27-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2156608-27-2
Formula
C22H20N2O8
Molar mass
440.41 g/mol
HS code
293499
Category
Screening compounds

What is MappianineA?

Plain description, key identifiers and synonyms

MappianineA is a chemical substance with the molecular formula C22H20N2O8 and a molar mass of 440.41 g/mol. Its CAS registry number is 2156608-27-2. The IUPAC name is (3R,4S,8S,9R,12S)-3-hydroxy-5-methoxycarbonyl-8-methyl-2,10-dioxo-7-oxa-11,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),5,15,17,19-pentaene-12-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,4S,8S,9R,12S)-3-hydroxy-5-methoxycarbonyl-8-methyl-2,10-dioxo-7-oxa-11,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),5,15,17,19-pentaene-12-carboxylic acid
CAS number
2156608-27-2
Molecular formula
C22H20N2O8
InChIKey
QFIODVOISIGDCZ-KBKOONKZSA-N
InChI
InChI=1S/C22H20N2O8/c1-9-15-16(12(8-32-9)21(29)31-2)22(30)18(25)17-11(10-5-3-4-6-13(10)23-17)7-14(20(27)28)24(22)19(15)26/h3-6,8-9,14-16,23,30H,7H2,1-2H3,(H,27,28)/t9-,14-,15-,16+,22+/m0/s1
Canonical SMILES
COC(=O)C1=COC(C)C2C(=O)N3C(C(=O)O)Cc4c([nH]c5ccccc45)C(=O)C3(O)C12
Isomeric SMILES
C[C@H]1[C@H]2[C@@H](C(=CO1)C(=O)OC)[C@]3(C(=O)C4=C(C[C@H](N3C2=O)C(=O)O)C5=CC=CC=C5N4)O

Synonyms

  • Mappianine A

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
440.41 g/molcalc.
Exact mass
440.122 Dacalc.
LogP (octanol/water)
0.6calc.
Topological polar surface area
146.2 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
2calc.
Heavy atoms
32calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
5calc.
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, O=C1c2[nH]c3ccccc3c2CCN2C(=O)C3COC=CC3C12

O=C1c2[nH]c3ccccc3c2CCN2C(=O)C3COC=CC3C12

5 rings, 23 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.

MappianineA suppliers

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

Frequently asked questions

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

What is MappianineA?

MappianineA is a chemical substance with the molecular formula C22H20N2O8 and a molar mass of 440.41 g/mol. Its CAS registry number is 2156608-27-2.

What is the CAS number of MappianineA?

The CAS registry number of MappianineA is 2156608-27-2.

What is the molecular formula and weight of MappianineA?

The molecular formula of MappianineA is C22H20N2O8 and its molar mass is 440.41 g/mol.

What is MappianineA used for?

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

Is MappianineA hazardous?

No GHS hazard classification for MappianineA 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 MappianineA?

MappianineA 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 MappianineA?

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

What is the price of MappianineA?

Suppliers quote MappianineA 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 MappianineA

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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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