CompoundList
Sign in
Screening compounds

Cimicidine

Also known as (1R,4R,12R,16S)-7-hydroxy-8-methoxy-5-propanoyl-17-oxa-5,15-diazahexacyclo(13.4.3.01,16.04,12.06,11.012,16)docosa-6(11),7,9-trien-18-one, (1R,4R,12R,16S)-7-hydroxy-8-methoxy-5-propanoyl-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6(11),7,9-trien-18-one

CAS 7096-81-3Formula C23H28N2O5Molar mass 412.49 g/mol
Get quotes Safety data
Cimicidine chemical structure, C23H28N2O5, CAS 7096-81-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
7096-81-3
Formula
C23H28N2O5
Molar mass
412.49 g/mol
HS code
293499
Category
Screening compounds

What is Cimicidine?

Plain description, key identifiers and synonyms

Cimicidine is a chemical substance with the molecular formula C23H28N2O5 and a molar mass of 412.49 g/mol. Its CAS registry number is 7096-81-3. The IUPAC name is (1R,4R,12R,16S)-7-hydroxy-8-methoxy-5-propanoyl-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6(11),7,9-trien-18-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,4R,12R,16S)-7-hydroxy-8-methoxy-5-propanoyl-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6(11),7,9-trien-18-one
CAS number
7096-81-3
Molecular formula
C23H28N2O5
InChIKey
HVTPIQKJZSQSLM-LSUGYDDCSA-N
InChI
InChI=1S/C23H28N2O5/c1-3-17(26)25-16-7-9-21-8-4-11-24-12-10-22(16,23(21,24)30-18(27)13-21)14-5-6-15(29-2)20(28)19(14)25/h5-6,16,28H,3-4,7-13H2,1-2H3/t16-,21-,22-,23+/m1/s1
Canonical SMILES
CCC(=O)N1c2c(ccc(OC)c2O)C23CCN4CCCC5(CCC12)CC(=O)OC453
Isomeric SMILES
CCC(=O)N1[C@@H]2CC[C@@]34CCCN5[C@]3([C@]2(CC5)C6=C1C(=C(C=C6)OC)O)OC(=O)C4

Synonyms

  • (1R,4R,12R,16S)-7-hydroxy-8-methoxy-5-propanoyl-17-oxa-5,15-diazahexacyclo(13.4.3.01,16.04,12.06,11.012,16)docosa-6(11),7,9-trien-18-one
  • (1R,4R,12R,16S)-7-hydroxy-8-methoxy-5-propanoyl-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6(11),7,9-trien-18-one

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
412.49 g/molcalc.
Exact mass
412.1998 Dacalc.
LogP (octanol/water)
2.69calc.
Topological polar surface area
79.31 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
30calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.65calc.
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, O=C1CC23CCCN4CCC5(c6ccccc6NC5CC2)C43O1

O=C1CC23CCCN4CCC5(c6ccccc6NC5CC2)C43O1

6 rings, 23 atoms.

1 other chemical 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.

Cimicidine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Cimicidine can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Cimicidine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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

Frequently asked questions

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

What is Cimicidine?

Cimicidine is a chemical substance with the molecular formula C23H28N2O5 and a molar mass of 412.49 g/mol. Its CAS registry number is 7096-81-3. The IUPAC name is (1R,4R,12R,16S)-7-hydroxy-8-methoxy-5-propanoyl-17-oxa-5,15-diazahexacyclo[13.4.3.01,16.04,12.06,11.012,16]docosa-6(11),7,9-trien-18-one.

What is the CAS number of Cimicidine?

The CAS registry number of Cimicidine is 7096-81-3.

What is the molecular formula and weight of Cimicidine?

The molecular formula of Cimicidine is C23H28N2O5 and its molar mass is 412.49 g/mol.

What is Cimicidine used for?

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

Is Cimicidine hazardous?

No GHS hazard classification for Cimicidine 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 Cimicidine?

Cimicidine 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 Cimicidine?

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

What is the price of Cimicidine?

Suppliers quote Cimicidine 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 Cimicidine

Get quotes for Cimicidine

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Cimicidine
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Cimicidine with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/cimicidine-7096-81-3" title="Cimicidine structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 293499

Price on request
Free quotes, contact stays private
Get quotes