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(Q83006217)
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English
Prednisolone-d3
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-oxo-Delta(1),Delta(4)-steroid
1 reference
based on heuristic
inferred from SMILES
mass
363.212504234
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₁H₂₈O₅
0 references
canonical SMILES
[2H]OCC(=O)C1(O[2H])CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O[2H])CC21C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
[2H]OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O[2H])C)O[2H]
0 references
Identifiers
InChI
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1/i22D,24D,26D
0 references
InChIKey
OIGNJSKKLXVSLS-LLLUTNDSSA-N
0 references
PubChem CID
138402707
1 reference
matched by identifier from
InChIKey
InChIKey
OIGNJSKKLXVSLS-LLLUTNDSSA-N
UniChem compound ID
169814718
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID901010081
1 reference
matched by identifier from
InChIKey
InChIKey
OIGNJSKKLXVSLS-LLLUTNDSSA-N
DSSTOX compound identifier
DTXCID401436501
0 references
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