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Screening compounds

FR 66980

Also known as (11-Acetyl-4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl)methyl carbamate, 3,9-Epoxy-3H-azirino(2,3-c)(1)benzazocine-5-carboxaldehyde, 1-acetyl-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,9,9a-hexahydro-7,9-dihydroxy-, (1-Acetyl-5-formyl-7,9-dihydroxy-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazireno[2,3-c][1]benzazocin-8-yl)methyl hydrogen carbonimidate

CAS 102409-49-4Formula C16H17N3O7Molar mass 363.33 g/mol
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FR 66980 chemical structure, C16H17N3O7, CAS 102409-49-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
102409-49-4
Formula
C16H17N3O7
Molar mass
363.33 g/mol
HS code
293499
Category
Screening compounds

What is FR 66980?

Plain description, key identifiers and synonyms

FR 66980 is a chemical substance with the molecular formula C16H17N3O7 and a molar mass of 363.33 g/mol. Its CAS registry number is 102409-49-4. The IUPAC name is (11-acetyl-4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl)methyl carbamate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(11-acetyl-4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl)methyl carbamate
CAS number
102409-49-4 CAS number cross-checked
Molecular formula
C16H17N3O7
InChIKey
GBDZIDKLGSDRFT-UHFFFAOYSA-N
InChI
InChI=1S/C16H17N3O7/c1-7(21)19-11-4-18-10-2-8(5-20)3-12(22)13(10)9(6-25-15(17)23)16(24,26-18)14(11)19/h2-3,5,9,11,14,22,24H,4,6H2,1H3,(H2,17,23)
SMILES (canonical and isomeric)
CC(=O)N1C2C1C3(C(C4=C(C=C(C=C4O)C=O)N(C2)O3)COC(=O)N)O

Synonyms

  • (11-Acetyl-4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl)methyl carbamate
  • 3,9-Epoxy-3H-azirino(2,3-c)(1)benzazocine-5-carboxaldehyde, 1-acetyl-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,9,9a-hexahydro-7,9-dihydroxy-
  • (1-Acetyl-5-formyl-7,9-dihydroxy-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazireno[2,3-c][1]benzazocin-8-yl)methyl hydrogen carbonimidate
  • (1-Acetyl-5-formyl-7,9-dihydroxy-1,1a,2,8,9,9a-hexahydro-3,9-epoxyazirino[2,3-c][1]benzazocin-8-yl)methyl hydrogen carbonimidate
  • 11-acetyl-4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12 ]tetradeca-2,4,6-trien-8-ylmethyl carbamate

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
363.33 g/molcalc.
Exact mass
363.1067 Dacalc.
LogP (octanol/water)
-0.56calc.
Topological polar surface area
142.4 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
3calc.
Heavy atoms
26calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
4calc.
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)CC1ON2CC2NC21

c1ccc2c(c1)CC1ON2CC2NC21

4 rings, 14 atoms.

6 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.

FR 66980 suppliers

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FR 66980 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 FR 66980 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 FR 66980 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about FR 66980, based on the data on this page

What is FR 66980?

FR 66980 is a chemical substance with the molecular formula C16H17N3O7 and a molar mass of 363.33 g/mol. Its CAS registry number is 102409-49-4. The IUPAC name is (11-acetyl-4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-8-yl)methyl carbamate.

What is the CAS number of FR 66980?

The CAS registry number of FR 66980 is 102409-49-4.

What is the molecular formula and weight of FR 66980?

The molecular formula of FR 66980 is C16H17N3O7 and its molar mass is 363.33 g/mol.

What is FR 66980 used for?

Known uses and roles of FR 66980 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is FR 66980 hazardous?

No GHS hazard classification for FR 66980 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 FR 66980?

FR 66980 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 FR 66980?

Post a free request on CompoundList and suppliers of FR 66980 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of FR 66980?

Suppliers quote FR 66980 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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