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Atrimustine

Atrimustine structure

Atrimustine 

structure
  • CAS No:

    75219-46-4

  • Formula:

    C41H47Cl2NO6

  • Chemical Name:

    Atrimustine

  • Synonyms:

    Estra-1,3,5(10)-triene-3,17-diol (17β)-,3-benzoate 17-[2-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]acetate];Estra-1,3,5(10)-triene-3,17-diol (17β)-,3-benzoate 17-[[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]acetate],(3β,5β)-;Estra-1,3,5(10)-triene-3,17-diol (17β)-,3-benzoate 17-[[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]acetate];KM 2210;Bestrabucil;17β-Busramustine;Atrimustine

Description

Atrimustine is the benzoate of a estradiol-chlorambucil conjugate. (NCI)

Atrimustine Basic Attributes

720.729

720.72

XC0K09B7K4

C1348

Characteristics

82.1

9.7

1.1424 (rough estimate)

Oral-rat LD50: >6000 mg/kg; Oral-Mouse LD50:>10000 mg/kg

Safety Information

Ventilated, low temperature and dry

Toxicity

practically nontoxic

Drug Information

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)|Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging. (See all compounds classified as Immunosuppressive Agents.)

bestrabucil

Computed Properties

Molecular Weight:720.7
XLogP3:9.7
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:17
Exact Mass:719.2780436
Monoisotopic Mass:719.2780436
Topological Polar Surface Area:82.1
Heavy Atom Count:50
Complexity:1120
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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