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Steroids and sterols

Prednimustine

Also known as Sterecyt, Stereocyt, Prednimustina

CAS 29069-24-7Formula C35H45Cl2NO6Molar mass 646.65 g/molEC 249-410-3
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Prednimustine chemical structure, C35H45Cl2NO6, CAS 29069-24-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
29069-24-7
Formula
C35H45Cl2NO6
Appearance
Crystals from methanol
Melting point
163 to 164 °C
HS code
292249
Category
Steroids and sterols
Illustrative photo, 25 kg white woven sacks of powder on a pallet in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Prednimustine?

Plain description, key identifiers and synonyms

Prednimustine is a corticosteroid hormone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
CAS number
29069-24-7 CAS number cross-checked
EC number
249-410-3
Molecular formula
C35H45Cl2NO6
UNII
9403SIO2S8
InChIKey
HFVNWDWLWUCIHC-GUPDPFMOSA-N
InChI
InChI=1S/C35H45Cl2NO6/c1-33-14-12-26(39)20-24(33)8-11-27-28-13-15-35(43,34(28,2)21-29(40)32(27)33)30(41)22-44-31(42)5-3-4-23-6-9-25(10-7-23)38(18-16-36)19-17-37/h6-7,9-10,12,14,20,27-29,32,40,43H,3-5,8,11,13,15-19,21-22H2,1-2H3/t27-,28-,29-,32+,33-,34-,35-/m0/s1
Canonical SMILES
CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1
Isomeric SMILES
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)O)CCC5=CC(=O)C=C[C@]35C)O

Synonyms

  • Sterecyt
  • Stereocyt
  • Prednimustina
  • Leo-1031
  • LEO 1031
  • Prednimustinum
  • Chlorambucil prednisolone ester
  • prednisolone chlorambucil ester
  • Pregna-1,4-diene-3,20-dione, 21-(4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)-11,17-dihydroxy-, (11beta)-
  • Pregna-1,4-diene-3,20-dione, 21-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]-11,17-dihydroxy-, (11beta)-
  • Leo1031
  • 11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-(4-(p-(bis(3-chloroethyl)amino)phenyl)butyrate)
  • 11beta-21-(4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)-11,17-dihydroxypregna-1,4-diene-3,20-dione
  • Pregna-1,4-diene-3,20-dione, 11-beta,17,21-trihydroxy-,21-(4-(p-(bis(2-chloroethyl)amino)phenyl)butyrate)
  • (11beta)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
  • Chlorambucil ester of prednisolone
  • Prednisolone 21-(4-(p-(bis(2-chloroethyl)amino)phenyl)butyrate)
  • Prednimustine (USAN/INN)
  • 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 21-(4-(p-(bis(2-chloroethyl)amino)phenyl)butyrate)
  • Leo 1031, NSC 134087, NSC 171345, Prednisolone chlorambucil ester, Sterecyt, Stereocyt
  • Pregna-1,4-diene-3,20-dione, 11-beta,17,21-trihydroxy-, 21-(4-(p-(bis(2-chloroethyl)amino)phenyl)butyrate)
  • Pregna-1,4-diene-3,20-dione, 11beta,17,21-trihydroxy-, 21-(4-(p-(bis(2-chloroethyl)amino)phenyl)butyrate)
  • 11beta,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
  • Pregna-1,4-diene-3,20-dione, 21-(4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)-11,17-dihydroxy-, (11.beta.)-

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

Appearance
Crystals from methanolexp.
Melting point
163 to 164 °Cexp.

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
646.65 g/molcalc.
Exact mass
645.2624 Dacalc.
LogP (octanol/water)
5.42calc.
Topological polar surface area
104.1 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
12calc.
Heavy atoms
44calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.63calc.
Formal charge
0calc.
Stereocentres
7calc.
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, O=C1C=CC2C(=C1)CCC1C2CCC2C(C(=O)COC(=O)CCCc3ccccc3)CCC21

O=C1C=CC2C(=C1)CCC1C2CCC2C(C(=O)COC(=O)CCCc3ccccc3)CCC21

5 rings, 33 atoms.

1 other chemical 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.

Prednimustine suppliers

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Prednimustine 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

Pharmacological actions

  • Antineoplastic Agents, Alkylating

Roles

  • antineoplastic agent
  • pharmaceutical

Pharmacology

Prednimustine is the prednisolone ester of chlorambucil and nitrogen mustard alkylating agent with antineoplastic activity. Prednimustine itself is not cytotoxic, however, it becomes cytotoxic upon hydrolysis by serum esterases to chlorambucil. Therefore, the increased potency of prednimustine is linked to the prolonged availability of free chlorambucil.

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 Prednimustine is traded under.

HS 2922.49Indicative HS code

Amino-acids, other than those containing more than one kind of oxygen function, and…

World exports in 2024
$3.88B
−11.5% vs 2023, imports $3.87B
2019 to 2024
Top exporters
  1. China38.7%
  2. India * partner reported8.3%
  3. Germany8.1%
Top importers
  1. United States13.4%
  2. Germany11.1%
  3. Japan6.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Prednimustine?

Prednimustine is a corticosteroid hormone.

What is the CAS number of Prednimustine?

The CAS registry number of Prednimustine is 29069-24-7.

What is the molecular formula and weight of Prednimustine?

The molecular formula of Prednimustine is C35H45Cl2NO6 and its molar mass is 646.65 g/mol.

What is Prednimustine used for?

Known uses and roles of Prednimustine include antineoplastic agent, pharmaceutical and antineoplastic agents, alkylating.

Is Prednimustine hazardous?

No GHS hazard classification for Prednimustine 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 Prednimustine?

Prednimustine is usually classified under HS code 292249 (Amino-acids, other than those containing more than one kind of oxygen function, and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Prednimustine?

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

What is the price of Prednimustine?

Suppliers quote Prednimustine 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 Prednimustine

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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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