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Screening compounds

Asocainol

Also known as Asocainolum, Goe-3764, Goe-4474

CAS 77400-65-8Formula C27H31NO3Molar mass 417.55 g/mol
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Asocainol chemical structure, C27H31NO3, CAS 77400-65-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
77400-65-8
Formula
C27H31NO3
Molar mass
417.55 g/mol
HS code
293399
Category
Screening compounds

What is Asocainol?

Plain description, key identifiers and synonyms

Asocainol is a chemical substance with the molecular formula C27H31NO3 and a molar mass of 417.55 g/mol. Its CAS registry number is 77400-65-8. The IUPAC name is 4,16-dimethoxy-10-methyl-9-(2-phenylethyl)-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4,16-dimethoxy-10-methyl-9-(2-phenylethyl)-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-ol
CAS number
77400-65-8 CAS number cross-checkedOther or deprecated CAS: 1794885-17-8, 95263-30-2
Molecular formula
C27H31NO3
UNII
J40338OKKT
InChIKey
IORHSKBXWWSQME-UHFFFAOYSA-N
InChI
InChI=1S/C27H31NO3/c1-28-16-15-20-10-13-23(30-2)18-24(20)26-21(11-14-25(31-3)27(26)29)17-22(28)12-9-19-7-5-4-6-8-19/h4-8,10-11,13-14,18,22,29H,9,12,15-17H2,1-3H3
SMILES (canonical and isomeric)
CN1CCC2=C(C=C(C=C2)OC)C3=C(CC1CCC4=CC=CC=C4)C=CC(=C3O)OC

Synonyms

  • Asocainolum
  • Goe-3764
  • Goe-4474
  • Goe-4704A
  • (+-)-6,7,8,9-tetrahydro-2,12-dimethoxy-7-methyl-6-phenethyl-5H-dibenz(d,f)azonine-1-ol
  • Goe 3764-A
  • Go 4704, Goe 4704
  • (+-)-6,7,8,9-Tetrahydro-2,12-dimethoxy-7-methyl-6-phenethyl-5H-dibenz(d,f)azonin-1-ol
  • 4,16-dimethoxy-10-methyl-9-(2-phenylethyl)-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-ol
  • (+/-)-Asocainol
  • 2,12-Dimethoxy-7-methyl-6-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-dibenzo[d,f]azonin-1-ol
  • (+/-)-6,7,8,9-Tetrahydro-2,12-dimethoxy-7-methyl-6-phenethyl-5H-dibenz(d,f)azonin-1-ol

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
417.55 g/molcalc.
Exact mass
417.2304 Dacalc.
LogP (octanol/water)
5.11calc.
Topological polar surface area
41.93 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
31calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1ccc(CCC2Cc3ccccc3-c3ccccc3CCN2)cc1

c1ccc(CCC2Cc3ccccc3-c3ccccc3CCN2)cc1

4 rings, 25 atoms.

2 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.

Asocainol suppliers

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Asocainol price

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

Frequently asked questions

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

What is Asocainol?

Asocainol is a chemical substance with the molecular formula C27H31NO3 and a molar mass of 417.55 g/mol. Its CAS registry number is 77400-65-8. The IUPAC name is 4,16-dimethoxy-10-methyl-9-(2-phenylethyl)-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-ol.

What is the CAS number of Asocainol?

The CAS registry number of Asocainol is 77400-65-8. Other or deprecated CAS numbers: 1794885-17-8, 95263-30-2.

What is the molecular formula and weight of Asocainol?

The molecular formula of Asocainol is C27H31NO3 and its molar mass is 417.55 g/mol.

What is Asocainol used for?

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

Is Asocainol hazardous?

No GHS hazard classification for Asocainol 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 Asocainol?

Asocainol 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 Asocainol?

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

What is the price of Asocainol?

Suppliers quote Asocainol 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

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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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