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Heterocyclic building blocks

Isolysergsaure

Also known as L-Isolysergic acid, PDSP1_000050, 6-Methyl-5alpha-9,10-didehydroergoline-8beta-carboxylic acid

CAS 68985-98-8Formula C16H16N2O2Molar mass 268.32 g/mol
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Isolysergsaure chemical structure, C16H16N2O2, CAS 68985-98-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
68985-98-8
Formula
C16H16N2O2
Molar mass
268.32 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Isolysergsaure?

Plain description, key identifiers and synonyms

Isolysergsaure is a chemical substance with the molecular formula C16H16N2O2 and a molar mass of 268.32 g/mol. Its CAS registry number is 68985-98-8. The IUPAC name is (6aS,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6aS,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid
CAS number
68985-98-8 CAS number cross-checked
Molecular formula
C16H16N2O2
InChIKey
ZAGRKAFMISFKIO-YGRLFVJLSA-N
InChI
InChI=1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20)/t10-,14+/m1/s1
Canonical SMILES
CN1CC(C(=O)O)C=C2c3cccc4[nH]cc(c34)CC21
Isomeric SMILES
CN1C[C@@H](C=C2[C@@H]1CC3=CNC4=CC=CC2=C34)C(=O)O

Synonyms

  • L-Isolysergic acid
  • PDSP1_000050
  • 6-Methyl-5alpha-9,10-didehydroergoline-8beta-carboxylic acid
  • Ergoline-8-carboxylicacid, 9,10-didehydro-6-methyl-, (8b)-

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
268.32 g/molcalc.
Exact mass
268.1212 Dacalc.
LogP (octanol/water)
2.12calc.
Topological polar surface area
56.33 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
20calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.31calc.
Formal charge
0calc.
Stereocentres
2calc.
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.

Isolysergsaure suppliers

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

Controlled or monitored substance

Isolysergsaure 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 Isolysergsaure with their licence. Our compliance team reviews it before suppliers see it.

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Isolysergsaure 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

Regulatory status

Inventories, regulations and trade controls that list this substance

Controlled or monitored substance

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

Frequently asked questions

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

What is Isolysergsaure?

Isolysergsaure is a chemical substance with the molecular formula C16H16N2O2 and a molar mass of 268.32 g/mol. Its CAS registry number is 68985-98-8. The IUPAC name is (6aS,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylic acid.

What is the CAS number of Isolysergsaure?

The CAS registry number of Isolysergsaure is 68985-98-8.

What is the molecular formula and weight of Isolysergsaure?

The molecular formula of Isolysergsaure is C16H16N2O2 and its molar mass is 268.32 g/mol.

What is Isolysergsaure used for?

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

Is Isolysergsaure hazardous?

No GHS hazard classification for Isolysergsaure 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 Isolysergsaure?

Isolysergsaure 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.

Can I buy Isolysergsaure on CompoundList?

Isolysergsaure 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 Isolysergsaure

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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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