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Screening compounds

Orb2893316

Formula C29H41BrN2O4Molar mass 561.56 g/mol
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Orb2893316 chemical structure, C29H41BrN2O4
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C29H41BrN2O4
Molar mass
561.56 g/mol
HS code
293349
Category
Screening compounds

What is Orb2893316?

Plain description, key identifiers and synonyms

Orb2893316 is a chemical substance with the molecular formula C29H41BrN2O4 and a molar mass of 561.56 g/mol. The IUPAC name is (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine, hydrobromide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine, hydrobromide
Molecular formula
C29H41BrN2O4
InChIKey
FHNALUQESJTZNT-MRFSYGAJSA-N
InChI
InChI=1S/C29H40N2O4.BrH/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;1H/t18-,21-,24+,25-;/m0./s1
Canonical SMILES
Br.CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(OC)c(OC)cc21
Isomeric SMILES
CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Br

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
561.56 g/molcalc.
Exact mass
560.225 Dacalc.
LogP (octanol/water)
5.52calc.
Topological polar surface area
52.19 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
36calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.59calc.
Formal charge
0calc.
Stereocentres
4calc.
Components
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, c1ccc2c(c1)CCNC2CC1CCN2CCc3ccccc3C2C1

c1ccc2c(c1)CCNC2CC1CCN2CCc3ccccc3C2C1

5 rings, 25 atoms.

47 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.

Orb2893316 suppliers

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Orb2893316 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 Orb2893316 is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb2893316 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2893316, based on the data on this page

What is Orb2893316?

Orb2893316 is a chemical substance with the molecular formula C29H41BrN2O4 and a molar mass of 561.56 g/mol. The IUPAC name is (2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine, hydrobromide.

What is the molecular formula and weight of Orb2893316?

The molecular formula of Orb2893316 is C29H41BrN2O4 and its molar mass is 561.56 g/mol.

What is Orb2893316 used for?

Known uses and roles of Orb2893316 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb2893316 hazardous?

No GHS hazard classification for Orb2893316 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 Orb2893316?

Orb2893316 is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb2893316?

Post a free request on CompoundList and suppliers of Orb2893316 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb2893316?

Suppliers quote Orb2893316 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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