3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-1-(2-chloroethyl)-1-nitrosourea | CAS No. 42471-28-3

3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-1-(2-chloroethyl)-1-nitrosourea

Basic Information

CAS Number

42471-28-3

Molecular Formula

C9H13ClN6O2

Molecular Weight

272.7 g/mol

AD

Basic Physical Properties

Melting Point

125°C (rough estimate)

Boiling Point

98°C (rough estimate)

Refractive Index

1.5790 (estimate)

CC1=NC=C(C(=N1)N)CNC(=O)N(CCCl)N=O

InChI

InChI=1S/C9H13ClN6O2/c1-6-12-4-7(8(11)14-6)5-13-9(17)16(15-18)3-2-10/h4H,2-3,5H2,1H3,(H,13,17)(H2,11,12,14)

InChIKey

VFEDRRNHLBGPNN-UHFFFAOYSA-N

LogP

0.7990200000000001

Topological Polar Surface Area

113.57 Ų

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

292

Synonyms & References

English

  • Pharmakon1600-01504151
  • NCGC00015755-06
  • NIMUSTINE [WHO-DD]
  • NCGC00094151-02
  • SDCCGSBI-0050797.P004
  • NCGC00015755-07
  • LP00820
  • CS-0007732
  • Nimustine (INN)
  • Nimustinum [INN-Latin]
  • KBio2_006005
  • Spectrum_000389
  • SpecPlus_000878
  • SBI-0050797.P003
  • AC-10562
  • DivK1c_006974
  • Spectrum3_001632
  • SR-01000076036
  • Nimustinum
  • 1-(4-Amino-2-methyl-5-pyrimidinyl)methyl-3-(2-chloroethyl)-3-nitrosourea
  • 3-((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)-1-(2-CHLOROETHYL)-1-NITROSOUREA
  • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-1-(2-chloroethyl)-1-nitrosourea
  • Lopac0_000820
  • Nimustina
  • NCGC00015755-03
  • W-106271
  • CHEMBL136737
  • NCGC00015755-01
  • FT-0630626
  • HMS3262D21
  • Nimustine [INN]

MDL Number

MFCD00866532

Customs Code

2933599090

FAQ

What regulatory guidelines apply to 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-1-(2-chloroethyl)-1-nitrosourea (CAS: 42471-28-3)?

The synthesis, handling, and disposal of 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-1-(2-chloroethyl)-1-nitrosourea (CAS: 42471-28-3) require adherence to regulatory guidelines such as GHS for hazard communication, REACH for chemical registration, and FDA/EPA for environmental and health safety. It is classified as a hazardous substance and is subject to stringent regulations regarding its transportation and storage.

Are there alternatives to 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-1-(2-chloroethyl)-1-nitrosourea (CAS: 42471-28-3) in synthesis?

There are several alternatives to 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-1-(2-chloroethyl)-1-nitrosourea (CAS: 42471-28-3) in synthesis, including other nitrosoureas and antimicrobial agents. Common alternatives include analogs such as thiocarbamates and isoxazolones, which can serve similar functions in various chemical processes.

What is the market or research trend for 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-1-(2-chloroethyl)-1-nitrosourea (CAS: 42471-28-3)?

The market and research trends for 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-1-(2-chloroethyl)-1-nitrosourea (CAS: 42471-28-3) are primarily focused on its applications in cancer treatment and research. Recent studies have explored its potential as an antitumor agent, and there is ongoing interest in its mechanism of action and side effects. The demand is likely to grow due to its unique chemical properties and therapeutic potential.

How should waste containing 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-1-(2-chloroethyl)-1-nitrosourea (CAS: 42471-28-3) be handled?

Waste containing 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-1-(2-chloroethyl)-1-nitrosourea (CAS: 42471-28-3) should be collected and stored in appropriate containers to prevent environmental contamination. Proper waste disposal methods include incineration or professional chemical waste disposal services that comply with local regulations. Environmental protection measures should be taken to ensure that the waste is managed safely and effectively to protect public health and the environment.

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