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Screening compounds

Cabergoline diphosphate

Also known as FCE 213, Centralvet, Vetem

CAS 85329-89-1Formula C26H43N5O10P2Molar mass 647.60 g/mol
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Cabergoline diphosphate chemical structure, C26H43N5O10P2, CAS 85329-89-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
85329-89-1
Formula
C26H43N5O10P2
Molar mass
647.60 g/mol
HS code
293399
Category
Screening compounds

What is Cabergoline diphosphate?

Plain description, key identifiers and synonyms

Cabergoline diphosphate is a chemical substance with the molecular formula C26H43N5O10P2 and a molar mass of 647.60 g/mol. Its CAS registry number is 85329-89-1. The IUPAC name is (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide, phosphoric acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide, phosphoric acid
CAS number
85329-89-1
Molecular formula
C26H43N5O10P2
UNII
477M7SA9N9
InChIKey
QCSYJICXNUHBML-CGCNXJRXSA-N
InChI
InChI=1S/C26H37N5O2.2H3O4P/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30;2*1-5(2,3)4/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33);2*(H3,1,2,3,4)/t19-,21-,23-;;/m1../s1
Canonical SMILES
C=CCN1CC(C(=O)N(CCCN(C)C)C(=O)NCC)CC2c3cccc4[nH]cc(c34)CC21.O=P(O)(O)O.O=P(O)(O)O
Isomeric SMILES
CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C.OP(=O)(O)O.OP(=O)(O)O

Synonyms

  • FCE 213
  • Centralvet
  • Vetem
  • (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide, phosphoric acid
  • Ergoline-8-carboxamide, N-(3-(dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-(2-propenyl)-(8-beta)-, phosphate (1:2)
  • Ergoline-8-carboxamide, N-(3-(dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-(2-propenyl)-, (8.beta.)-, phosphate (1:2)
  • N-(3-(Dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-allylergoline-8-carboxamide phosphate (1:2), (8.beta.)-

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
647.60 g/molcalc.
Exact mass
647.2485 Dacalc.
LogP (octanol/water)
1.34calc.
Topological polar surface area
227.2 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
8calc.
Heavy atoms
43calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.54calc.
Formal charge
0calc.
Stereocentres
3calc.
Components
3calc.
Lipinski rule of five
Fails (2 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, c1cc2c3c(c[nH]c3c1)CC1NCCCC21

c1cc2c3c(c[nH]c3c1)CC1NCCCC21

4 rings, 16 atoms.

219 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.

Cabergoline diphosphate suppliers

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Cabergoline diphosphate 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 Cabergoline diphosphate is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Cabergoline diphosphate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cabergoline diphosphate, based on the data on this page

What is Cabergoline diphosphate?

Cabergoline diphosphate is a chemical substance with the molecular formula C26H43N5O10P2 and a molar mass of 647.60 g/mol. Its CAS registry number is 85329-89-1.

What is the CAS number of Cabergoline diphosphate?

The CAS registry number of Cabergoline diphosphate is 85329-89-1.

What is the molecular formula and weight of Cabergoline diphosphate?

The molecular formula of Cabergoline diphosphate is C26H43N5O10P2 and its molar mass is 647.60 g/mol.

What is Cabergoline diphosphate used for?

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

Is Cabergoline diphosphate hazardous?

No GHS hazard classification for Cabergoline diphosphate 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 Cabergoline diphosphate?

Cabergoline diphosphate is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cabergoline diphosphate?

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

What is the price of Cabergoline diphosphate?

Suppliers quote Cabergoline diphosphate 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 Cabergoline diphosphate

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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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