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Impurities and reference standards

Ergometrinine

Also known as Ergometrinin, Ergonovinine, Ergobasinine

CAS 479-00-5Formula C19H23N3O2Molar mass 325.41 g/mol
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Ergometrinine chemical structure, C19H23N3O2, CAS 479-00-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
479-00-5
Formula
C19H23N3O2
Molar mass
325.41 g/mol
HS code
293399
Category
Impurities and reference standards

What is Ergometrinine?

Plain description, key identifiers and synonyms

Ergometrinine is an ergoline alkaloid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6aR,9S)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CAS number
479-00-5 CAS number cross-checked
Molecular formula
C19H23N3O2
UNII
5EXN22NGMW
InChIKey
WVVSZNPYNCNODU-PLQHRBFRSA-N
InChI
InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13-,17+/m0/s1
Canonical SMILES
CC(CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1
Isomeric SMILES
C[C@@H](CO)NC(=O)[C@@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C

Synonyms

  • Ergometrinin
  • Ergonovinine
  • Ergobasinine
  • Isoergometrine
  • D-lysergic acid D-propanolamide
  • (6aR,9S)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
  • 4-25-00-00950 (Beilstein Handbook Reference)
  • 9,10-Didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methylergoline-8-alpha-carboxamide
  • Ergoline-8-alpha-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl-
  • (8.Alpha.)-9,10-didehydro-N-((1S)-2-hydroxy-1-methylethyl)-6-methylergoline-8-carboxamide
  • Ergoline-8-carboxamide, 9,10-didehydro-N-((1S)-2-hydroxy-1-methylethyl)-6-methyl-, (8.alpha.)-
  • (4S,7R)-N-((2S)-1-Hydroxypropan-2-yl)-6-methyl-6,11-diazatetracyclo(7.6.1.0,.0,)hexadeca-1(16),2,9,12,14-pentaene-4-carboximidate
  • (4S,7R)-N-[(2S)-1-Hydroxypropan-2-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0,.0,]hexadeca-1(16),2,9,12,14-pentaene-4-carboximidate
  • (6aR,9S)-N-((2S)-1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo(4,3-fg)quinoline-9-carboxamide
  • (8Alpha)-9,10-didehydro-N-((1S)-2-hydroxy-1-methylethyl)-6-methylergoline-8-carboxamide
  • Ergoline-8-carboxamide, 9,10-didehydro-N-((1S)-2-hydroxy-1-methylethyl)-6-methyl-, (8alpha)-
  • Ergobasinin
  • (6aR,9S)-N-((S)-1-hydroxypropan-2-yl)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
  • Methylergometrine EP Impurity F
  • Ergonovinine, Ergobasinine
  • Ergometrinine dried down 25 microg/mL
  • Methylergometrine maleate EP Impurity F
  • Ergometrine maleate impurity f
  • Methylergometrine Maleate EP Impurity F, Ergometrinine
  • (8alpha)-N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide
Show all 28 synonyms
  • N-[(2S)-1-Hydroxypropan-2-yl]-6-methyl-9,10-didehydroergoline-8alpha-carboxamide
  • (6aR,9S)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-g]quinoline-9-carboxamide
  • (6aR,9S)-N-[(S)-1-hydroxypropan-2-yl]-7-methyl- 4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

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
325.41 g/molcalc.
Exact mass
325.179 Dacalc.
LogP (octanol/water)
1.53calc.
Topological polar surface area
68.36 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
24calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.42calc.
Formal charge
0calc.
Stereocentres
3calc.
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, C1=C2c3cccc4[nH]cc(c34)CC2NCC1

C1=C2c3cccc4[nH]cc(c34)CC2NCC1

4 rings, 16 atoms, the 9,10-Ergolene ring system.

145 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.

Ergometrinine suppliers

Controlled substance, listings of documented suppliers only, in the documented ranking

Controlled or monitored substance

Ergometrinine is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.

Our policy on controlled substances
No documented supplier lists it yet

Licensed buyers can post a request for Ergometrinine with their licence. Our compliance team reviews it before suppliers see it.

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Ergometrinine 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.

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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

Controlled or monitored substance

Ergometrinine is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.

Our policy on controlled substances

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Ergometrinine 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 Ergometrinine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

Can I buy Ergometrinine on CompoundList?

Ergometrinine is a controlled substance. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed by our compliance team before suppliers see it.

Guides for buyers

Practical guides that help when you source, ship or handle Ergometrinine

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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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