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Chemical structure of A1550 - Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxo-, (6a,11b,16a,17a)-

GB40086

A1550 - Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11,17-dihydroxy-16-methyl-3-oxo-, (6a,11b,16a,17a)-

Also known as (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid

Steroid derivative; precursor for e·g· fluticasone

ChemicalCAS80473-92-3MW412.49FormulaC21H26F2O4S
CAS number
80473-92-3
Molecular weight
412.49
Formula
C21H26F2O4S
InChIKey
GLAJUXBOZSWZMM-IDIDPBNYSA-N
Catalogue number
GB40086
Brand
GLPBIO
Computed properties PubChem CID 10024665 · XLogP 2.4 · TPSA 75.6 Ų · H-bond donors 3
XLogP
2.4
TPSA
75.6 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
1
Heavy atoms
28

SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)S)O)C)O)F)C)F

Computed descriptors from PubChem (CID 10024665), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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