CompoundList
Sign in
Peptides

Anachelin

CAS 326490-91-9Formula C34H47N6O13+Molar mass 747.78 g/mol
Get quotes Safety data
Anachelin chemical structure, C34H47N6O13+, CAS 326490-91-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
326490-91-9
Formula
C34H47N6O13+
Molar mass
747.78 g/mol
HS code
293499
Category
Peptides

What is Anachelin?

Plain description, key identifiers and synonyms

Anachelin has been reported in Anabaena cylindrica.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[(2S,3R)-1-[[(2R)-1-[[(2S)-1-[(6,7-dihydroxy-1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium-3-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-3,4-dihydroxy-4-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]butanamide
CAS number
326490-91-9
Molecular formula
C34H47N6O13+
InChIKey
DUTSLWAWYAFOFZ-CBHWWCKQSA-O
InChI
InChI=1S/C34H46N6O13/c1-16(43)29(39-28(48)11-27(47)30(49)22-15-53-34(38-22)19-6-4-5-7-24(19)44)33(52)37-21(14-42)32(51)36-20(13-41)31(50)35-18-8-17-9-25(45)26(46)10-23(17)40(2,3)12-18/h4-7,9-10,16,18,20-22,27,29-30,41-43,47,49H,8,11-15H2,1-3H3,(H6-,35,36,37,38,39,44,45,46,48,50,51,52)/p+1/t16-,18?,20+,21-,22?,27?,29+,30?/m1/s1
Canonical SMILES
CC(O)C(NC(=O)CC(O)C(O)C1COC(c2ccccc2O)=N1)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC1Cc2cc(O)c(O)cc2[N+](C)(C)C1
Isomeric SMILES
C[C@H]([C@@H](C(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)NC1CC2=CC(=C(C=C2[N+](C1)(C)C)O)O)NC(=O)CC(C(C3COC(=N3)C4=CC=CC=C4O)O)O)O

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
747.78 g/molcalc.
Exact mass
747.3196 Dacalc.
LogP (octanol/water)
-3.81calc.
Topological polar surface area
299.8 Ųcalc.
Hydrogen bond donors
12calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
15calc.
Heavy atoms
53calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.5calc.
Formal charge
1calc.
Stereocentres
8calc.
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(CCCC1COC(c2ccccc2)=N1)NCC(=O)NCC(=O)NCC(=O)NC1CNc2ccccc2C1

O=C(CCCC1COC(c2ccccc2)=N1)NCC(=O)NCC(=O)NCC(=O)NC1CNc2ccccc2C1

4 rings, 39 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.

Anachelin 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 Anachelin can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Anachelin 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

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

Frequently asked questions

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

What is Anachelin?

Anachelin has been reported in Anabaena cylindrica.

What is the CAS number of Anachelin?

The CAS registry number of Anachelin is 326490-91-9.

What is the molecular formula and weight of Anachelin?

The molecular formula of Anachelin is C34H47N6O13+ and its molar mass is 747.78 g/mol.

Is Anachelin hazardous?

No GHS hazard classification for Anachelin 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 Anachelin?

Anachelin 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 Anachelin?

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

What is the price of Anachelin?

Suppliers quote Anachelin 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 Anachelin

Get quotes for Anachelin

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Anachelin
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 Anachelin 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/anachelin-326490-91-9" title="Anachelin 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 Peptides or HS code 293499

Price on request
Free quotes, contact stays private
Get quotes