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Screening compounds

Asperlicin

Also known as (7S)-7-(((2S,4S)-4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo(1,2-a)indol-4-yl)methyl)-6,7-dihydroquinazolino(3,2-a)(1,4)benzodiazepine-5,13-dione, (-)-Asperlicin

CAS 93413-04-8Formula C31H29N5O4Molar mass 535.60 g/mol
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Asperlicin chemical structure, C31H29N5O4, CAS 93413-04-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
93413-04-8
Formula
C31H29N5O4
Molar mass
535.60 g/mol
HS code
293359
Category
Screening compounds

What is Asperlicin?

Plain description, key identifiers and synonyms

asperlicin has been reported in Aspergillus alliaceus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(7S)-7-[[(2S,3aS,4S)-4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
CAS number
93413-04-8 CAS number cross-checked
Molecular formula
C31H29N5O4
UNII
U0MJE9LRXV
InChIKey
MGMRIOLWEROPJY-FPACPZPDSA-N
InChI
InChI=1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30-,31-/m0/s1
Canonical SMILES
CC(C)CC1NC2N(C1=O)c1ccccc1C2(O)CC1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O
Isomeric SMILES
CC(C)C[C@H]1C(=O)N2[C@H](N1)[C@@](C3=CC=CC=C32)(C[C@H]4C5=NC6=CC=CC=C6C(=O)N5C7=CC=CC=C7C(=O)N4)O

Synonyms

  • (7S)-7-(((2S,4S)-4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo(1,2-a)indol-4-yl)methyl)-6,7-dihydroquinazolino(3,2-a)(1,4)benzodiazepine-5,13-dione
  • (-)-Asperlicin

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
535.60 g/molcalc.
Exact mass
535.222 Dacalc.
LogP (octanol/water)
3.14calc.
Topological polar surface area
116.6 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
4calc.
Heavy atoms
40calc.
Rings
7calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
4calc.
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=C1NC(CC2c3ccccc3N3C(=O)CNC23)c2nc3ccccc3c(=O)n2-c2ccccc21

O=C1NC(CC2c3ccccc3N3C(=O)CNC23)c2nc3ccccc3c(=O)n2-c2ccccc21

7 rings, 35 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.

Asperlicin suppliers

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Asperlicin 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

Pharmacological actions

  • Hormone Antagonists

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

Frequently asked questions

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

What is Asperlicin?

asperlicin has been reported in Aspergillus alliaceus.

What is the CAS number of Asperlicin?

The CAS registry number of Asperlicin is 93413-04-8.

What is the molecular formula and weight of Asperlicin?

The molecular formula of Asperlicin is C31H29N5O4 and its molar mass is 535.60 g/mol.

What is Asperlicin used for?

Known uses and roles of Asperlicin include building blocks in research and laboratory, screening compounds in research and laboratory and hormone antagonists.

Is Asperlicin hazardous?

No GHS hazard classification for Asperlicin 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 Asperlicin?

Asperlicin 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 Asperlicin?

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

What is the price of Asperlicin?

Suppliers quote Asperlicin 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 Asperlicin

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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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