Prednisolone sodium metasulfobenzoate

CAS Registry Number®

630-67-1

CAS Name

Prednisolone sodium metasulfobenzoate

Molecular Formula

C28H32O9S.Na

Cite this Page

Prednisolone sodium metasulfobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=630-67-1 (retrieved 2024-11-22) (CAS RN: 630-67-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    293-295 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C28H32O9S.Na/c1-26-10-8-18(29)13-17(26)6-7-20-21-9-11-28(33,27(21,2)14-22(30)24(20)26)23(31)15-37-25(32)16-4-3-5-19(12-16)38(34,35)36;/h3-5,8,10,12-13,20-22,24,30,33H,6-7,9,11,14-15H2,1-2H3,(H,34,35,36);/t20-,21-,22-,24+,26-,27-,28-;/m0./s1

InChIKey

InChIKey=NGBAZAFEHFURDY-VDYYWZOJSA-N

SMILES

C[C@@]12[C@]([C@]3([C@]([C@@H](O)C1)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])(CC[C@@]2(C(COC(=O)C5=CC(S(=O)(=O)O)=CC=C5)=O)O)[H].[Na]

Canonical SMILES

[Na].O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COC(=O)C5=CC=CC(=C5)S(=O)(=O)O)C4(C)CC(O)C32)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-[(3-sulfobenzoyl)oxy]-, sodium salt (1:1), (11β)-
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-(m-sulfobenzoate), monosodium salt
  • Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-[(3-sulfobenzoyl)oxy]-, monosodium salt, (11β)-
  • Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-, 21-m-sulfobenzoate, sodium salt
  • Benzoic acid, m-sulfo-, 21-ester with 11β,17,21-trihydroxypregna-1,4-diene-3,20-dione, monosodium salt

View All

Deleted or Replaced CAS Registry Numbers

36570-50-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration