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English
11-[(Aziridin-1-yl)methyl]estra-1(10),2,4-triene-3,17-diol
group of stereoisomers with the chemical formula C₂₁H₂₉NO₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
327.219829168
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₉NO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12CC(CN3CC3)C3c4ccc(O)cc4CCC3C1CCC2O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@]12CC(CN3CC3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H29NO2/c1-21-11-14(12-22-8-9-22)20-16-5-3-15(23)10-13(16)2-4-17(20)18(21)6-7-19(21)24/h3,5,10,14,17-20,23-24H,2,4,6-9,11-12H2,1H3/t14?,17-,18-,19-,20+,21-/m0/s1
0 references
InChIKey
HEEPORQSZTZTBT-CRBRIEKSSA-N
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CAS Registry Number
76583-06-7
0 references
PubChem CID
67093
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
54241974
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00997921
0 references
DSSTOX compound identifier
DTXCID801424918
0 references
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