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Screening compounds

Augustine

Also known as (1S,13R,15R,16S,18R)-15-methoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-triene, 2H,5H-4,10b-Ethano(1,3)dioxolo(4,5-j)oxireno(a)phenanthridine,1a,3,3a,10c-tetrahydro-2-methoxy-, (1aS,2R,3aR,4S,10bS,10cR)-, 3-Methoxy-1,2-epoxycrinan

CAS 79659-60-2Formula C17H19NO4Molar mass 301.34 g/mol
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Augustine chemical structure, C17H19NO4, CAS 79659-60-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
79659-60-2
Formula
C17H19NO4
Molar mass
301.34 g/mol
HS code
293499
Category
Screening compounds

What is Augustine?

Plain description, key identifiers and synonyms

3-Methoxy-1,2-epoxycrinan has been reported in Crossyne flava, Mitragyna diversifolia, and Crinum asiaticum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,13R,15R,16S,18R)-15-methoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-triene
CAS number
79659-60-2 CAS number cross-checked
Molecular formula
C17H19NO4
InChIKey
QLRRUWXMMVXORS-NRKLIOEPSA-N
InChI
InChI=1S/C17H19NO4/c1-19-13-6-14-17(16-15(13)22-16)2-3-18(14)7-9-4-11-12(5-10(9)17)21-8-20-11/h4-5,13-16H,2-3,6-8H2,1H3/t13-,14-,15+,16+,17+/m1/s1
Canonical SMILES
COC1CC2N3CCC2(c2cc4c(cc2C3)OCO4)C2OC12
Isomeric SMILES
CO[C@@H]1C[C@@H]2[C@@]3(CCN2CC4=CC5=C(C=C43)OCO5)[C@@H]6[C@H]1O6

Synonyms

  • (1S,13R,15R,16S,18R)-15-methoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-triene
  • 2H,5H-4,10b-Ethano(1,3)dioxolo(4,5-j)oxireno(a)phenanthridine,1a,3,3a,10c-tetrahydro-2-methoxy-, (1aS,2R,3aR,4S,10bS,10cR)-
  • 3-Methoxy-1,2-epoxycrinan
  • (5xi)-3alpha-Methoxy-1beta,2beta-1,2-epoxycrinan

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
301.34 g/molcalc.
Exact mass
301.1314 Dacalc.
LogP (octanol/water)
1.43calc.
Topological polar surface area
43.46 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
22calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.65calc.
Formal charge
0calc.
Stereocentres
6calc.
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, c1c2c(cc3c1OCO3)C13CCN(C2)C1CCC1OC13

c1c2c(cc3c1OCO3)C13CCN(C2)C1CCC1OC13

6 rings, 20 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.

Augustine suppliers

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Augustine 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 Augustine is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Augustine?

3-Methoxy-1,2-epoxycrinan has been reported in Crossyne flava, Mitragyna diversifolia, and Crinum asiaticum.

What is the CAS number of Augustine?

The CAS registry number of Augustine is 79659-60-2.

What is the molecular formula and weight of Augustine?

The molecular formula of Augustine is C17H19NO4 and its molar mass is 301.34 g/mol.

What is Augustine used for?

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

Is Augustine hazardous?

No GHS hazard classification for Augustine 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 Augustine?

Augustine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Augustine?

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What is the price of Augustine?

Suppliers quote Augustine 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 Augustine

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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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