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Steroids and sterols

Orb1707811

Also known as 1-[3alpha,17beta-bis(acetyloxy)-2beta-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-5alpha-androstan-16beta-yl]-1-(2-propenyl)pyrrolidinium bromide

CAS 159325-23-2Formula C37H59BrN2O6Molar mass 707.79 g/mol
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Orb1707811 chemical structure, C37H59BrN2O6, CAS 159325-23-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
159325-23-2
Formula
C37H59BrN2O6
Molar mass
707.79 g/mol
HS code
293499
Category
Steroids and sterols

What is Orb1707811?

Plain description, key identifiers and synonyms

Orb1707811 is a chemical substance with the molecular formula C37H59BrN2O6 and a molar mass of 707.79 g/mol. Its CAS registry number is 159325-23-2. The IUPAC name is [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-10,13-dimethyl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-10,13-dimethyl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide
CAS number
159325-23-2
Molecular formula
C37H59BrN2O6
InChIKey
ZZYGWFNCSVBPJK-KXBZQBBNSA-M
InChI
InChI=1S/C37H59N2O6.BrH/c1-6-17-39(18-7-8-19-39)32-23-30-28-10-9-27-22-33(44-25(2)40)31(38-15-13-37(14-16-38)42-20-21-43-37)24-36(27,5)29(28)11-12-35(30,4)34(32)45-26(3)41;/h6,27-34H,1,7-24H2,2-5H3;1H/q+1;/p-1/t27-,28+,29-,30-,31-,32-,33-,34-,35-,36-;/m0./s1
Canonical SMILES
C=CC[N+]1(C2CC3C4CCC5CC(OC(C)=O)C(N6CCC7(CC6)OCCO7)CC5(C)C4CCC3(C)C2OC(C)=O)CCCC1.[Br-]
Isomeric SMILES
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCC5(CC4)OCCO5)C)CC[C@]6([C@H]3C[C@@H]([C@@H]6OC(=O)C)[N+]7(CCCC7)CC=C)C.[Br-]

Synonyms

  • 1-[3alpha,17beta-bis(acetyloxy)-2beta-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-5alpha-androstan-16beta-yl]-1-(2-propenyl)pyrrolidinium bromide

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
707.79 g/molcalc.
Exact mass
706.3557 Dacalc.
LogP (octanol/water)
2.49calc.
Topological polar surface area
74.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
6calc.
Heavy atoms
46calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.89calc.
Formal charge
0calc.
Stereocentres
10calc.
Components
2calc.
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, C1CCN(C2CC3CCC4C5CC(N6CCC7(CC6)OCCO7)CCC5CCC4C3C2)C1

C1CCN(C2CC3CCC4C5CC(N6CCC7(CC6)OCCO7)CCC5CCC4C3C2)C1

7 rings, 32 atoms.

No other chemical in our database has 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.

Orb1707811 suppliers

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Orb1707811 price

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Orb1707811 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 Orb1707811 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1707811, based on the data on this page

What is Orb1707811?

Orb1707811 is a chemical substance with the molecular formula C37H59BrN2O6 and a molar mass of 707.79 g/mol. Its CAS registry number is 159325-23-2.

What is the CAS number of Orb1707811?

The CAS registry number of Orb1707811 is 159325-23-2.

What is the molecular formula and weight of Orb1707811?

The molecular formula of Orb1707811 is C37H59BrN2O6 and its molar mass is 707.79 g/mol.

Is Orb1707811 hazardous?

No GHS hazard classification for Orb1707811 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 Orb1707811?

Orb1707811 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 Orb1707811?

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What is the price of Orb1707811?

Suppliers quote Orb1707811 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 Orb1707811

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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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