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Oxandrolone secoacid anhydride

HCID 9797151
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Basic information

CAS
313047-21-1
Standard SMILES
C[C@]12C(=O)OC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
InChIKey
ZKJWOAPAPQKMIK-VWJMYWFESA-N
Molecular formula
C19H28O4
Average molar mass
320.4 g/mol
Monoisotopic mass
320.19875937

Names & identifiers

Preferred name
Oxandrolone secoacid anhydride
IUPAC
(1S,3aS,3bS,5aS,9aS,9bS,11aS)-1-hydroxy-1,9a,11a-trimethyl-3,3a,3b,4,5,5a,6,9b,10,11-decahydro-2H-indeno[4,5-h]isochromene-7,9-dione

Names & synonyms

Oxandrolone secoacid anhydride313047-21-1UNII-40WG0F152340WG0F1523Oxandrolone impurity, secoacid anhydride- [USP]Cyclopenta(5,6)naphtho(1,2-C)pyran-2,4-dione, tetradecahydro-7-hydroxy-4a,6a,7-trimethyl-, (4aS,4bS,6aS,7S,9aS,9bS,11aS)-17beta-Hydroxy-17alpha-methyl-2-oxa-5alpha-androstan-1,3-dioneSCHEMBL7080426Q27258357OXANDROLONE IMPURITY, SECOACID ANHYDRIDE- [USP IMPURITY]17.BETA.-HYDROXY-17.ALPHA.-METHYL-2-OXA-5.ALPHA.-ANDROSTAN-1,3-DIONE

Database identifiers

CAS
313047-21-1
PubChem CID
9797151
UNII
40WG0F1523

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
23
Formal charge
0
Complexity
572

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Compound notes

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