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Steroids and sterols

Sch 23409

Also known as Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-17-(benzoyloxy)-7-bromo-11-hydroxy-16-methyl-, (7alpha,11beta,16alpha)-, 7alpha-Bromo-16alpha-methylprednisolone 17-benzoate 21-acetate, 7 alpha-bromo-16 alpha-methylprednisolone 17-benzoate 21-acetate

CAS 67212-62-8Formula C31H35BrO7Molar mass 599.52 g/mol
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Sch 23409 chemical structure, C31H35BrO7, CAS 67212-62-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
67212-62-8
Formula
C31H35BrO7
Molar mass
599.52 g/mol
HS code
291631
Category
Steroids and sterols

What is Sch 23409?

Plain description, key identifiers and synonyms

Sch 23409 is a chemical substance with the molecular formula C31H35BrO7 and a molar mass of 599.52 g/mol. Its CAS registry number is 67212-62-8. The IUPAC name is [(7R,8S,9S,10R,11S,13S,14S,16R,17R)-17-(2-acetyloxyacetyl)-7-bromo-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] benzoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(7R,8S,9S,10R,11S,13S,14S,16R,17R)-17-(2-acetyloxyacetyl)-7-bromo-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] benzoate
CAS number
67212-62-8 CAS number cross-checked
Molecular formula
C31H35BrO7
InChIKey
ZDRFYHPNXXPAGN-WWZZPOJZSA-N
InChI
InChI=1S/C31H35BrO7/c1-17-12-22-26-23(32)14-20-13-21(34)10-11-29(20,3)27(26)24(35)15-30(22,4)31(17,25(36)16-38-18(2)33)39-28(37)19-8-6-5-7-9-19/h5-11,13,17,22-24,26-27,35H,12,14-16H2,1-4H3/t17-,22+,23-,24+,26-,27+,29+,30+,31+/m1/s1
Canonical SMILES
CC(=O)OCC(=O)C1(OC(=O)c2ccccc2)C(C)CC2C3C(Br)CC4=CC(=O)C=CC4(C)C3C(O)CC21C
Isomeric SMILES
C[C@@H]1C[C@H]2[C@@H]3[C@@H](CC4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)OC(=O)C5=CC=CC=C5)C)O)C)Br

Synonyms

  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-17-(benzoyloxy)-7-bromo-11-hydroxy-16-methyl-, (7alpha,11beta,16alpha)-
  • 7alpha-Bromo-16alpha-methylprednisolone 17-benzoate 21-acetate
  • 7 alpha-bromo-16 alpha-methylprednisolone 17-benzoate 21-acetate
  • 21-(Acetyloxy)-7-bromo-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl benzoate
  • 21-(Acetyloxy)-7alpha-bromo-11beta-hydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-17-yl benzoate

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
599.52 g/molcalc.
Exact mass
598.1566 Dacalc.
LogP (octanol/water)
4.61calc.
Topological polar surface area
107 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
5calc.
Heavy atoms
39calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
9calc.
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, O=C1C=CC2C(=C1)CCC1C2CCC2C(OC(=O)c3ccccc3)CCC21

O=C1C=CC2C(=C1)CCC1C2CCC2C(OC(=O)c3ccccc3)CCC21

5 rings, 27 atoms.

8 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.

Sch 23409 suppliers

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Sch 23409 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

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 Sch 23409 is traded under.

HS 2916.31Indicative HS code

Benzoic acid, its salts and esters

World exports in 2024
$668M
+12.0% vs 2023, imports $664M
2019 to 2024
Top exporters
  1. China30.7%
  2. Netherlands29.8%
  3. Estonia9.9%
Top importers
  1. United States14.7%
  2. Germany8.8%
  3. Brazil5.1%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Sch 23409 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Sch 23409, based on the data on this page

What is Sch 23409?

Sch 23409 is a chemical substance with the molecular formula C31H35BrO7 and a molar mass of 599.52 g/mol. Its CAS registry number is 67212-62-8.

What is the CAS number of Sch 23409?

The CAS registry number of Sch 23409 is 67212-62-8.

What is the molecular formula and weight of Sch 23409?

The molecular formula of Sch 23409 is C31H35BrO7 and its molar mass is 599.52 g/mol.

Is Sch 23409 hazardous?

No GHS hazard classification for Sch 23409 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 Sch 23409?

Sch 23409 is usually classified under HS code 291631 (Benzoic acid, its salts and esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Sch 23409?

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What is the price of Sch 23409?

Suppliers quote Sch 23409 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 Sch 23409

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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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