Dexamethasone sodium m-sulfobenzoate
CAS Registry Number®
3936-02-5
CAS Name
Dexamethasone sodium m-sulfobenzoateMolecular Formula
C29H33FO9S.NaCite this Page
Dexamethasone sodium m-sulfobenzoate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=3936-02-5 (retrieved ) (CAS RN: 3936-02-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
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);/t16-,21+,22+,23+,26+,27+,28+,29+;/m1./s1
InChIKey
InChIKey=QPTXTASNUUATEQ-RDWMNNCQSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@](F)([C@]4(C)C(CC3)=CC(=O)C=C4)[C@@H](O)C1)[H])(C[C@@H](C)[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)CCC3C4CC(C)C(O)(C(=O)COC(=O)C5=CC=CC(=C5)S(=O)(=O)O)C4(C)CC(O)C32F)C
Other Names for this Substance
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]-, sodium salt (1:1)
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16α-methyl-, 21-(m-sulfobenzoate), monosodium salt
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-[(3-sulfobenzoyl)oxy]-, monosodium salt, (11β,16α)-
- Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16α-methyl-, 21-m-sulfobenzoate, sodium salt
- Dexamethasone m-sulfobenzoate sodium
