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Heterocyclic compounds

Fluciclatide

CAS 879894-00-5Formula C75H115FN18O27S3Molar mass 1,816.04 g/mol
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Fluciclatide chemical structure, C75H115FN18O27S3, CAS 879894-00-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
879894-00-5
Formula
C75H115FN18O27S3
Molar mass
1,816.04 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Fluciclatide?

Plain description, key identifiers and synonyms

Fluciclatide is a chemical substance with the molecular formula C75H115FN18O27S3 and a molar mass of 1,816.04 g/mol. Its CAS registry number is 879894-00-5. The IUPAC name is 2-[(1R,4S,10R,13S,16R,19S,25S)-10-[2-[2-[2-[2-[[2-(2-amino-2-oxoethoxy)acetyl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[2-[2-[2-[2-[2-[2-[2-[2-[[2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,14,17,20,23,26-octazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(1R,4S,10R,13S,16R,19S,25S)-10-[2-[2-[2-[2-[[2-(2-amino-2-oxoethoxy)acetyl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[2-[2-[2-[2-[2-[2-[2-[2-[[2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,14,17,20,23,26-octazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid
CAS number
879894-00-5
Molecular formula
C75H115FN18O27S3
UNII
UQ6CV583Q3
InChIKey
VXFFXZSNVKXXIB-SCSBXPEDSA-N
InChI
InChI=1S/C75H115FN18O27S3/c76-52-13-11-51(12-14-52)39-87-121-45-65(100)83-19-23-113-27-31-117-34-36-118-35-33-116-30-26-112-22-18-82-64(99)44-120-43-62(97)80-15-5-4-9-54-70(106)93-58-47-123-124-48-59(94-72(108)56(38-67(102)103)89-61(96)40-86-68(104)53(90-73(58)109)10-6-16-85-75(78)79)74(110)91-55(37-50-7-2-1-3-8-50)71(107)92-57(46-122-49-66(101)88-54)69(105)84-20-24-114-28-32-115-29-25-111-21-17-81-63(98)42-119-41-60(77)95/h1-3,7-8,11-14,39,53-59H,4-6,9-10,15-38,40-49H2,(H2,77,95)(H,80,97)(H,81,98)(H,82,99)(H,83,100)(H,84,105)(H,86,104)(H,88,101)(H,89,96)(H,90,109)(H,91,110)(H,92,107)(H,93,106)(H,94,108)(H,102,103)(H4,78,79,85)/b87-39+/t53-,54-,55-,56-,57-,58-,59-/m0/s1
Canonical SMILES
NC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)C1CSCC(=O)NC(CCCCNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CON=Cc2ccc(F)cc2)C(=O)NC2CSSCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC2=O)C(=O)NC(Cc2ccccc2)C(=O)N1
Isomeric SMILES
C1[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CSS1)C(=O)N[C@H](C(=O)N[C@@H](CSCC(=O)N[C@H](C(=O)N2)CCCCNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CO/N=C/C3=CC=C(C=C3)F)C(=O)NCCOCCOCCOCCNC(=O)COCC(=O)N)CC4=CC=CC=C4)CC(=O)O)CCCN=C(N)N

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
1,816.04 g/molcalc.
Exact mass
1,814.7325 Dacalc.
LogP (octanol/water)
-7calc.
Topological polar surface area
637 Ųcalc.
Hydrogen bond donors
17calc.
Hydrogen bond acceptors
31calc.
Rotatable bonds
56calc.
Heavy atoms
124calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.61calc.
Formal charge
0calc.
Stereocentres
7calc.
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=C1CNC(=O)CNC(=O)C2CSSCC(NC(=O)CN1)C(=O)NC(Cc1ccccc1)C(=O)NCCSCC(=O)NC(CCCCNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CON=Cc1ccccc1)C(=O)N2

O=C1CNC(=O)CNC(=O)C2CSSCC(NC(=O)CN1)C(=O)NC(Cc1ccccc1)C(=O)NCCSCC(=O)NC(CCCCNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CON=Cc1ccccc1)C(=O)N2

4 rings, 89 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.

Fluciclatide suppliers

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

Frequently asked questions

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

What is Fluciclatide?

Fluciclatide is a chemical substance with the molecular formula C75H115FN18O27S3 and a molar mass of 1,816.04 g/mol. Its CAS registry number is 879894-00-5.

What is the CAS number of Fluciclatide?

The CAS registry number of Fluciclatide is 879894-00-5.

What is the molecular formula and weight of Fluciclatide?

The molecular formula of Fluciclatide is C75H115FN18O27S3 and its molar mass is 1,816.04 g/mol.

Is Fluciclatide hazardous?

No GHS hazard classification for Fluciclatide 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 Fluciclatide?

Fluciclatide 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 Fluciclatide?

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What is the price of Fluciclatide?

Suppliers quote Fluciclatide 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 Fluciclatide

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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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