N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-{5-hydroxy-3-[(tetrahydro-2-furanylmethyl)disulfanyl]-2-penten-2-yl}formamide | CAS No. 804-30-8

N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-{5-hydroxy-3-[(tetrahydro-2-furanylmethyl)disulfanyl]-2-penten-2-yl}formamide

Basic Information

CAS Number

804-30-8

Molecular Formula

C17H26N4O3S2

Molecular Weight

398.55 g/mol

AD

Basic Physical Properties

Boiling Point

652.3°C at 760 mmHg

Density

1.29

Refractive Index

1.6270 (estimate)

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSCC2CCCO2)C

InChI

InChI=1S/C17H26N4O3S2/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20)

InChIKey

JTLXCMOFVBXEKD-UHFFFAOYSA-N

LogP

2.4999200000000004

Topological Polar Surface Area

101.57 Ų

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

481

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Toxicity

LD50 in rats (mg/kg): 2200 orally; 540 i.p. (Yurugi, Fushimi)

Synonyms & References

English

  • 05J61265PX
  • DB08966
  • Prestwick3_001007
  • Retar B1
  • N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[5-hydroxy-3-(oxolan-2-ylmethyldisulfanyl)pent-2-en-2-yl]formamide
  • N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(2E)-5-hydroxy-3-{[(oxolan-2-yl)methyl]disulfanyl}pent-2-en-2-yl]formamide
  • 804-30-8
  • Tox21_112989
  • Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-[[(tetrahydro-2-furanyl)methyl]dithio]-1-butenyl]-
  • NCGC00179291-04
  • FURSULTIAMINE [MART.]
  • Retar-B(sub 1)
  • FURSULTIAMINE [JAN]
  • Fursutiamine
  • EINECS 212-357-1
  • MFCD00867383
  • BPBio1_001247
  • S6614
  • BRN 0052964
  • A839907
  • AB00443520
  • NCGC00188432-01
  • Alinamin-f
  • Judolor
  • DTXCID30809568
  • CS-8111
  • Fursultiaminum
  • HY-B2082
  • CAS-804-30-8
  • Fursultiamin
  • 10238-39-8

MDL Number

MFCD00867383

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