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Screening compounds

Obaberine

Also known as Oxyacanthan, 6,6'7,12'-tetramethoxy-2,2'-dimethyl-, (+)-obaberine

CAS 1263-80-5Formula C38H42N2O6Molar mass 622.76 g/mol
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Obaberine chemical structure, C38H42N2O6, CAS 1263-80-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1263-80-5
Formula
C38H42N2O6
Molar mass
622.76 g/mol
HS code
293499
Category
Screening compounds

What is Obaberine?

Plain description, key identifiers and synonyms

Obaberine is a bisbenzylisoquinoline alkaloid and a member of isoquinolines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,14S)-6,20,21,25-tetramethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaene
CAS number
1263-80-5 CAS number cross-checked
Molecular formula
C38H42N2O6
InChIKey
FBCXFKWMGIWMJQ-IHLOFXLRSA-N
InChI
InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)18-24-9-12-31(41-3)33(19-24)45-27-10-7-23(8-11-27)17-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m1/s1
Canonical SMILES
COc1ccc2cc1Oc1ccc(cc1)CC1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)C4C2)CCN1C
Isomeric SMILES
CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6C)OC)O3)OC)OC)OC

Synonyms

  • Oxyacanthan, 6,6'7,12'-tetramethoxy-2,2'-dimethyl-
  • (+)-obaberine

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
622.76 g/molcalc.
Exact mass
622.3043 Dacalc.
LogP (octanol/water)
7.16calc.
Topological polar surface area
61.86 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
4calc.
Heavy atoms
46calc.
Rings
8calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.37calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Fails (2 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, c1cc2cc(c1)Oc1ccc(cc1)CC1NCCc3cccc(c31)Oc1ccc3c(c1)C(C2)NCC3

c1cc2cc(c1)Oc1ccc(cc1)CC1NCCc3cccc(c31)Oc1ccc3c(c1)C(C2)NCC3

8 rings, 36 atoms.

28 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.

Obaberine suppliers

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

Frequently asked questions

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

What is Obaberine?

Obaberine is a bisbenzylisoquinoline alkaloid and a member of isoquinolines.

What is the CAS number of Obaberine?

The CAS registry number of Obaberine is 1263-80-5.

What is the molecular formula and weight of Obaberine?

The molecular formula of Obaberine is C38H42N2O6 and its molar mass is 622.76 g/mol.

What is Obaberine used for?

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

Is Obaberine hazardous?

No GHS hazard classification for Obaberine 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 Obaberine?

Obaberine 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 Obaberine?

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

What is the price of Obaberine?

Suppliers quote Obaberine 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 Obaberine

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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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