Org-33628
Basic information
- CAS
155768-17-5- Standard SMILES
C=C1CCO[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(C(C)=O)cc3)C[C@@]12C- InChIKey
YNWTZVKFWBTFFE-ONBAZCQBSA-N- Molecular formula
- C30H34O3
- Average molar mass
- 442.6 g/mol
- Monoisotopic mass
- 442.25079494
Overview
a very potent & selective antiprogestagen which behaves as an ovulation inhibitor; structure given in first source
Names & identifiers
- Preferred name
- Org-33628
- IUPAC
- (8S,11R,13S,14S,17R)-11-(4-acetylphenyl)-13-methyl-3'-methylidenespiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one
- English name
- 19,24-Dinorchola-4,9,20-trien-3-one, 11-(4-acetylphenyl)-17,23-epoxy-, (11β,17α)-
- Molecular formula
- C30H34O3
- Molecular weight
- 442.6
Names & synonyms
ORG-33628155768-17-55570B34COZOrg 3362819,24-Dinorchola-4,9,20-trien-3-one, 11-(4-acetylphenyl)-17,23-epoxy-, (11beta,17alpha)-RefChem:168477UNII-5570B34COZ(8S,11R,13S,14S,17R)-11-(4-acetylphenyl)-13-methyl-3'-methylidenespiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-oneCHEMBL270934orb1699747SCHEMBL13318769AKOS040749092
Show more names
Org33628Org33628,Org 3362819,24-Dinorchola-4,9,20-trien-3-one, 11-(4-acetylphenyl)-17,23-epoxy-, (11β,17α)-
HY-105177T2826419,24-DINORCHOLA-4,9,20-TRIEN-3-ONE, 11-(4-ACETYLPHENYL)-17,23-EPOXY-, (11.BETA.,17.ALPHA.)-
Database identifiers
- CAS
155768-17-5- PubChem CID
- 9846209
- ChEMBL
CHEMBL270934- UNII
- 5570B34COZ
- Nikkaji
- J648.430A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 961
Physicochemical properties
- Boiling point
- 639.2 · 639.2±55.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- FDA UNII
- 5570 B34COZ · 5570B34COZ
Chemistry & industry
Applications
UsesORG 33628 is a potent and selective progesterone receptor modulator. ORG 33628 shows anti-progestational and anti-glucocorticoid activity. ORG 33628 shows ovulation-inhibitory activity. ORG 33628 has the potential for the research of breast and endometrium[1][2].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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