(6alpha)-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione | CAS No. 83-43-2

(6alpha)-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione

Basic Information

CAS Number

83-43-2

Molecular Formula

C22H30O5

Molecular Weight

374.48 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

228-237 ºC (dec.)

Boiling Point

423.47°C (rough estimate)

Density

1.0868 (rough estimate)

Flash Point

571.8 °C at 760 mmHg

Solubility

chloroform/methanol (9:1): 50 mg/mL, clear, faintly yellow

Refractive Index

82 ° (C=1, Dioxane)

Vapor Pressure

0.0±3.6 mmHg at 25°C

Specific Rotation

D20 +83° (dioxane)

CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O

InChI

InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1

InChIKey

VHRSUDSXCMQTMA-PJHHCJLFSA-N

LogP

1.8036

Topological Polar Surface Area

94.83000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

754

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

Synonyms & References

English

  • METHYLPREDNISOLONE [GREEN BOOK]
  • Prestwick2_000279
  • Methylprednisolone, 6-alpha
  • Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6a,11b)-
  • Methylprednisolone for system suitability, European Pharmacopoeia (EP) Reference Standard
  • METHYLPREDNISOLONE [MI]
  • Moderin
  • Esametone
  • 11beta,17,21-trihydroxy-6alpha-methyl-1,4-pregnadiene-3,20-dione
  • Methylprednisolone [USP:INN:BAN:JAN]
  • Depo-Medrol (acetate)
  • HSDB 3127
  • METHYLPREDNISOLONE [USP MONOGRAPH]
  • Medrol (TN)
  • Methylprednisolone [USAN:INN:BAN:JAN]
  • METHYLPREDNISOLONE [WHO-DD]
  • Medrate
  • Prednisolone, 6alpha-methyl-
  • DepMedalone
  • Opera_ID_1576
  • Methylprednisolone [USAN:BAN:INN:JAN]
  • Medrol adt pak
  • Medesone
  • Metrisone
  • Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6I+/-,11I(2))-
  • Medrol dosepak
  • Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6alpha,11beta)-
  • HMS2090B13
  • KS-1273
  • METHYLPREDNISOLONE [INN]
  • Metilprednisolona

MDL Number

MFCD00010591

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