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Substance Name: Dexamethasone metasulfobenzoate sodium [JAN]
RN: 3936-02-5
UNII: 4T1RAI19H8
InChIKey: RPBJOYICBFNIMN-RDWMNNCQSA-M

Classification Codes

  • Drug / Therapeutic Agent
  • Hormone

Molecular Formula

  • C29-H33-F-O9-S.Na

Molecular Weight

  • 598.617
 
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Names and Synonyms

Name of Substance

  • Dexamethasone metasulfobenzoate sodium [JAN]

Synonyms

  • Dexamethason 21-(3-sulfobenzoat)natrium
  • Dexamethasone metasulfobenzoate sodium
  • Dexamethasone sodium-m-sulfobenzoate
  • Dexamethasone-21-sulphobenzoate sodium
  • Dexamethazone metasulfobenzoate sodium
  • Dexapos
  • EINECS 223-514-9
  • Sisotek
  • UNII-4T1RAI19H8

Systematic Names

  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-((3-sulfobenzoyl)oxy)-, monosodium salt, (11beta,16alpha)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-alpha-methyl-, 21-m-sulfobenzoate, monosodium salt

Registry Numbers

CAS Registry Number

  • 3936-02-5

FDA UNII

  • 4T1RAI19H8

System Generated Number

  • 0003936025

Molecular Formulas

Molecular Formula

  • C29-H33-F-O9-S.Na

Molecular Formula Fragments

  • C29-H33-F-O9-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H33FO9S.Na/c1-16-11-22-21-8-7-18-13-19(31)9-10-26(18,2)28(21,30)23(32)14-27(22,3)29(16,35)24(33)15-39-25(34)17-5-4-6-20(12-17)40(36,37)38;/h4-6,9-10,12-13,16,21-23,32,35H,7-8,11,14-15H2,1-3H3,(H,36,37,38);/q;+1/p-1/t16-,21+,22+,23+,26+,27+,28+,29+;/m1./s1

InChIKey

RPBJOYICBFNIMN-RDWMNNCQSA-M

Smiles

S(c1cc(C(OCC([C@@]2([C@@]3([C@H]([C@@H]4CCC=5[C@@](C=CC(C5)=O)(C)[C@@]4(F)[C@H](C3)O)C[C@H]2C)C)O)=O)=O)ccc1)(=O)(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 873mg/kg (873mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 2117, 1979.
mouse LD50 subcutaneous 3119mg/kg (3119mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 2117, 1979.
rat LD50 intraperitoneal 695mg/kg (695mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 2117, 1979.
rat LD50 subcutaneous 614mg/kg (614mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 2117, 1979.