CompoundList
Sign in
Heterocyclic building blocks

Orb2814811

Also known as (4aS,8aS)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one, hydrochloride, (+/-)-Piquindone hydrochloride anhydrous, (+/-)-Trans-3-ethyl-1,4a,5,6,7,8,8a,9-octahydro-2,6-dimethyl-4H-pyrrolo(2,3-g)isoquinolin-4-one monohydrochloride

CAS 75689-38-2Formula C15H23ClN2OMolar mass 282.82 g/mol
Get quotes Safety data
Orb2814811 chemical structure, C15H23ClN2O, CAS 75689-38-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
75689-38-2
Formula
C15H23ClN2O
Molar mass
282.82 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Orb2814811?

Plain description, key identifiers and synonyms

Orb2814811 is a chemical substance with the molecular formula C15H23ClN2O and a molar mass of 282.82 g/mol. Its CAS registry number is 75689-38-2. The IUPAC name is (4aS,8aS)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one, hydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4aS,8aS)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one, hydrochloride
CAS number
75689-38-2
Molecular formula
C15H23ClN2O
UNII
U94K2VY961
InChIKey
SFILABVANJHLDH-XOZOLZJESA-N
InChI
InChI=1S/C15H22N2O.ClH/c1-4-11-9(2)16-13-7-10-5-6-17(3)8-12(10)15(18)14(11)13;/h10,12,16H,4-8H2,1-3H3;1H/t10-,12+;/m0./s1
Canonical SMILES
CCc1c(C)[nH]c2c1C(=O)C1CN(C)CCC1C2.Cl
Isomeric SMILES
CCC1=C(NC2=C1C(=O)[C@@H]3CN(CC[C@H]3C2)C)C.Cl

Synonyms

  • (4aS,8aS)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one, hydrochloride
  • (+/-)-Piquindone hydrochloride anhydrous
  • (+/-)-Trans-3-ethyl-1,4a,5,6,7,8,8a,9-octahydro-2,6-dimethyl-4H-pyrrolo(2,3-g)isoquinolin-4-one monohydrochloride

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
282.82 g/molcalc.
Exact mass
282.1499 Dacalc.
LogP (octanol/water)
2.61calc.
Topological polar surface area
36.1 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
19calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
2calc.
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, O=C1c2cc[nH]c2CC2CCNCC12

O=C1c2cc[nH]c2CC2CCNCC12

3 rings, 14 atoms.

4 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.

Orb2814811 suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Orb2814811 can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Orb2814811 price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

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 Orb2814811 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 Orb2814811 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2814811, based on the data on this page

What is Orb2814811?

Orb2814811 is a chemical substance with the molecular formula C15H23ClN2O and a molar mass of 282.82 g/mol. Its CAS registry number is 75689-38-2. The IUPAC name is (4aS,8aS)-3-ethyl-2,6-dimethyl-4a,5,7,8,8a,9-hexahydro-1H-pyrrolo[2,3-g]isoquinolin-4-one, hydrochloride.

What is the CAS number of Orb2814811?

The CAS registry number of Orb2814811 is 75689-38-2.

What is the molecular formula and weight of Orb2814811?

The molecular formula of Orb2814811 is C15H23ClN2O and its molar mass is 282.82 g/mol.

What is Orb2814811 used for?

Known uses and roles of Orb2814811 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb2814811 hazardous?

No GHS hazard classification for Orb2814811 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 Orb2814811?

Orb2814811 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 Orb2814811?

Post a free request on CompoundList and suppliers of Orb2814811 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb2814811?

Suppliers quote Orb2814811 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 Orb2814811

Get quotes for Orb2814811

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Orb2814811
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Orb2814811 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/orb2814811-75689-38-2" title="Orb2814811 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Heterocyclic building blocks or HS code 293399

Price on request
Free quotes, contact stays private
Get quotes