Basic information
- CAS
20799-27-3- Standard SMILES
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@H]3CC[C@@]21CC- InChIKey
KIQQMECNKUGGKA-GOMYTPFNSA-N- Molecular formula
- C23H31NO3
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.23039385
Names & identifiers
- Preferred name
- (1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate
- IUPAC
- [(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Names & synonyms
DTXSID301017841EINECS 244-046-1(1)-13-Ethyl-17alpha-hydroxy-18,19-dinor-pregn-4-en-20-yn-3-one oxime acetate18,19-Dinor-17alpha-pregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, oxime, acetate (ester), (+-)20799-27-3RefChem:203767DTXCID701476023Norgestimatum [INN-Latin]Norgestimato [INN-Spanish]Norgestimate CRSUNII-C291HFX4DYSCHEMBL38318
Show more names
CHEMBL4303574HSDB 7898KIQQMECNKUGGKA-GOMYTPFNSA-NHMS3715E17Norgestimate [USAN:USP:INN:BAN]CCG-220988Norgestimate for system suitability CRSNSC 759159
Database identifiers
- CAS
20799-27-3、35189-28-7- PubChem CID
- 37083
- DTXSID
DTXSID301017841- ChEMBL
CHEMBL4303574- EC Number
- 244-046-1
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 744
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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