Acitretin | CAS No. 55079-83-9

Acitretin

Basic Information

CAS Number

55079-83-9

Molecular Formula

C21H26O3

Molecular Weight

326.44 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

230°C

Boiling Point

521.3°C at 760 mmHg

Density

1.1348 (rough estimate)

Flash Point

180.3±20.3 °C

Refractive Index

1.4700 (estimate)

CC1=CC(=C(C(=C1C=CC(=CC=CC(=CC(=O)O)C)C)C)C)OC

InChI

InChI=1S/C21H26O3/c1-14(8-7-9-15(2)12-21(22)23)10-11-19-16(3)13-20(24-6)18(5)17(19)4/h7-13H,1-6H3,(H,22,23)/b9-7+,11-10+,14-8+,15-12-

InChIKey

IHUNBGSDBOWDMA-UGOGCBOOSA-N

LogP

5.167060000000005

Topological Polar Surface Area

46.53 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

539

Safety Information

View Safety Information

GHS Hazard Pictograms

H315H315
H319H319
H360H360
H410H410

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H360 May damage fertility or the unborn child
Reproductive toxicity
H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Toxicity

LD50 i.p. in mice (mg/kg): >4000 (1 day), 700 (10 days), 700 (20 days) (Bollag, 1978)

Synonyms & References

English

  • Ro-10-1670/000
  • all-trans-Acitretin
  • Acitretin, European Pharmacopoeia (EP) Reference Standard
  • HMS2234L17
  • LCH760E9T7
  • ACITRETIN (EP MONOGRAPH)
  • Acitretinum (Latin)
  • 13-is Acitretin
  • (2E,4E,6E,8E)-9-(4-methoxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
  • CHEMBL1131
  • CHEBI:50172
  • Soriatane CK
  • Spectrum5_002065
  • 54757-46-9
  • 13-CIS-ACITRETIN-D3
  • Acitretin (USP/INN)
  • Acitretin, British Pharmacopoeia (BP) Reference Standard
  • Acitretina
  • GTPL7598
  • (all-E)-9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid
  • MLS001076667
  • AC-4702
  • 2,4,6,8-Nonatetraenoic acid, 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-, (2E,4E,6E,8E)-
  • Acitretin 100 microg/mL in Acetonitrile:Acetone
  • Trimethylmethoxyphenyl-retinoic acid
  • DTXSID6022553
  • KS-5246
  • Ro 10-1670
  • CAS-55079-83-9
  • AS-12644
  • Retinoid etretin

MDL Number

MFCD00866632

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