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Substance Name: Prednimustine [USAN:INN]
RN: 29069-24-7
UNII: 9403SIO2S8
InChIKey: HFVNWDWLWUCIHC-GUPDPFMOSA-N

Note

  • Ester of CHLORAMBUCIL and PREDNISOLONE used as a combination alkylating agent and synthetic steroid to treat various leukemias and other neoplasms. It causes gastrointestinal and bone marrow toxicity.

Molecular Formula

  • C35-H45-Cl2-N-O6

Molecular Weight

  • 646.648
 

Classification Codes

Classification Codes

  • Alkylating Agents
  • Antineoplastic
  • Antineoplastic Agents
  • Antineoplastic Agents, Alkylating
  • Drug / Therapeutic Agent
  • Human Data
  • Noxae
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • Prednimustine
  • Prednimustine [USAN:INN]

MeSH Heading

  • Prednimustine

Synonyms

  • 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 21-(4-(p-(bis(2-chloroethyl)amino)phenyl)butyrate)
  • BRN 2826967
  • CCRIS 6741
  • Chlorambucil ester of prednisolone
  • Chlorambucil prednisolone ester
  • EINECS 249-410-3
  • HSDB 6882
  • LEO 1031
  • NSC 134087
  • Prednimustina
  • Prednimustina [INN-Spanish]
  • Prednimustine
  • Prednimustinum
  • Prednimustinum [INN-Latin]
  • Prednisolone 21-(4-(p-(bis(2-chloroethyl)amino)phenyl)butyrate)
  • Pregna-1,4-diene-3,20-dione, 21-(4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)-11,17-dihydroxy-, (11beta)-
  • Sterecyt
  • UNII-9403SIO2S8

Systematic Names

  • Prednimustine
  • 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)
  • Pregna-1,4-diene-3,20-dione, 21-(4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)-11,17-dihydroxy-, (11beta)-

Superlist Name

  • Prednimustine

Registry Numbers

CAS Registry Number

  • 29069-24-7

FDA UNII

  • 9403SIO2S8

System Generated Number

  • 0029069247

Structure Descriptors

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

InChIKey

HFVNWDWLWUCIHC-GUPDPFMOSA-N

Smiles

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCCc5ccc(cc5)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 16mg/kg/4W (16mg/kg) BEHAVIORAL: EUPHORIA

BLOOD: LEUKOPENIA

BLOOD: THROMBOCYTOPENIA
Journal of Medicine Vol. 8, Pg. 115, 1977.
mouse LDLo subcutaneous 128mg/kg (128mg/kg)   European Journal of Cancer. Vol. 13, Pg. 873, 1977.
rat LD50 oral 530mg/kg (530mg/kg)   Drugs of the Future. Vol. 1, Pg. 137, 1976.
rat LDLo subcutaneous 128mg/kg (128mg/kg)   European Journal of Cancer. Vol. 13, Pg. 873, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 163.5 deg C   EXP
log P (octanol-water) 6.500 (none)   EST
Water Solubility 2.20E-04 mg/L 25 EST
Vapor Pressure 3.20E-20 mm Hg 25 EST
Henry's Law Constant 1.40E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.60E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.