2-Chloro-2'-deoxyadenosine | CAS No. 4291-63-8

2-Chloro-2'-deoxyadenosine

Basic Information

CAS Number

4291-63-8

Molecular Formula

C10H12ClN5O3

Molecular Weight

285.69 g/mol

AD

Basic Physical Properties

Melting Point

220°C

Boiling Point

387.1°C at 760 mmHg

Density

2.03

Flash Point

285 °C

Specific Rotation

-18.8° (c=1,in DMF)

C1C(C(OC1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O

InChI

InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1

InChIKey

PTOAARAWEBMLNO-KVQBGUIXSA-N

LogP

-0.29740000000000005

Topological Polar Surface Area

119.30999999999999 Ų

Hydrogen Bond Donor/Acceptor

4 / 8

Complexity

338

Safety Information

View Safety Information

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral
H311 Toxic in contact with skin
Acute toxicity, dermal
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H331 Toxic if inhaled
Acute toxicity, inhalation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • CLADRIBINE [INN]
  • Chlorodeoxyadenosine
  • HMS2232C23
  • 2ClAdo
  • NCGC00022567-08
  • DTXCID602828
  • AB00382963-17
  • AB00382963_19
  • 2-CdA
  • 24757-90-2
  • CL9
  • CHEBI:567361
  • NSC-105014
  • Mylinax
  • SMR000058553
  • Cladarabine
  • cladribinum
  • HSDB 7564
  • cid_20279
  • AKOS015892544
  • Q414030
  • D01370
  • Cladribine, European Pharmacopoeia (EP) Reference Standard
  • BDBM38920
  • Leustat
  • 2-Chloro-2'-deoxy-beta-adenosine
  • BRN 0624220
  • HMS3715F17
  • CLADRIBINE [HSDB]
  • Opera_ID_1191
  • 2-chloro-6-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine

MDL Number

MFCD00153939

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