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Screening compounds

Ergocryptinam

Also known as Ergocryptinam-, 1',12'-Secoergotaman-3',6',12',18-tetrone, 2'-deoxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (2'S,5'alpha,8alpha,11'alpha)-, 1',12'-Secoergotaman-3',6',12',18-tetrone, 2'-deoxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (2's,5'.alpha.,8alpha,11'.alpha.)-

CAS 77519-66-5Formula C32H41N5O4Molar mass 559.71 g/mol
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Ergocryptinam chemical structure, C32H41N5O4, CAS 77519-66-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
77519-66-5
Formula
C32H41N5O4
Molar mass
559.71 g/mol
HS code
293359
Category
Screening compounds

What is Ergocryptinam?

Plain description, key identifiers and synonyms

Ergocryptinam is a chemical substance with the molecular formula C32H41N5O4 and a molar mass of 559.71 g/mol. Its CAS registry number is 77519-66-5. The IUPAC name is (6aR,9S)-N-[(2S)-1-[(3S,8aR)-3-(2-methylpropyl)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-3-methyl-1-oxobutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6aR,9S)-N-[(2S)-1-[(3S,8aR)-3-(2-methylpropyl)-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]-3-methyl-1-oxobutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CAS number
77519-66-5
Molecular formula
C32H41N5O4
UNII
XS2Q8ZRZ2G
InChIKey
IFFQSISDSKIQNF-YIHYQKFXSA-N
InChI
InChI=1S/C32H41N5O4/c1-17(2)12-26-30(39)36-11-7-10-24(36)31(40)37(26)32(41)28(18(3)4)34-29(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-25(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,28,33H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24+,25+,26-,28-/m0/s1
Canonical SMILES
CC(C)CC1C(=O)N2CCCC2C(=O)N1C(=O)C(NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1)C(C)C
Isomeric SMILES
CC(C)C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1C(=O)[C@H](C(C)C)NC(=O)[C@@H]3CN([C@@H]4CC5=CNC6=CC=CC(=C56)C4=C3)C

Synonyms

  • Ergocryptinam-
  • 1',12'-Secoergotaman-3',6',12',18-tetrone, 2'-deoxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (2'S,5'alpha,8alpha,11'alpha)-
  • 1',12'-Secoergotaman-3',6',12',18-tetrone, 2'-deoxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (2's,5'.alpha.,8alpha,11'.alpha.)-

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
559.71 g/molcalc.
Exact mass
559.3159 Dacalc.
LogP (octanol/water)
2.95calc.
Topological polar surface area
105.8 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
41calc.
Rings
6calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (1 violation)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(NCC(=O)N1CC(=O)N2CCCC2C1=O)C1C=C2c3cccc4[nH]cc(c34)CC2NC1

O=C(NCC(=O)N1CC(=O)N2CCCC2C1=O)C1C=C2c3cccc4[nH]cc(c34)CC2NC1

6 rings, 33 atoms.

5 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.

Ergocryptinam suppliers

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Ergocryptinam 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 Ergocryptinam is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Ergocryptinam?

Ergocryptinam is a chemical substance with the molecular formula C32H41N5O4 and a molar mass of 559.71 g/mol. Its CAS registry number is 77519-66-5.

What is the CAS number of Ergocryptinam?

The CAS registry number of Ergocryptinam is 77519-66-5.

What is the molecular formula and weight of Ergocryptinam?

The molecular formula of Ergocryptinam is C32H41N5O4 and its molar mass is 559.71 g/mol.

What is Ergocryptinam used for?

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

Is Ergocryptinam hazardous?

No GHS hazard classification for Ergocryptinam 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 Ergocryptinam?

Ergocryptinam is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ergocryptinam?

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

What is the price of Ergocryptinam?

Suppliers quote Ergocryptinam 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 Ergocryptinam

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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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