Cas no 10116-22-0 (19-Norpregna-4,9-diene-3,20-dione,17-methyl-)
10116-22-0 structure
Product Name:19-Norpregna-4,9-diene-3,20-dione,17-methyl-
CAS No:10116-22-0
MF:C21H28O2
MW:312.445826530457
CID:142501
PubChem ID:93057
Update Time:2025-04-19
19-Norpregna-4,9-diene-3,20-dione,17-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 19-Norpregna-4,9-diene-3,20-dione,17-methyl-
- demegestone
- 17-Methyl-19-norpregna-4,9-diene-3,20-dione
- Dimegestone
- Lutionex
- R2453
- R-2459
- Demegestone [INN:DCF]
- DTXSID20878581
- NSC-118189
- HY-113537
- DB13857
- 6E89AM91SZ
- Demegestonum
- RU 2453
- CHEBI:135339
- EINECS 233-320-6
- 10116-22-0
- DEMEGESTONE [MI]
- R-2453
- SCHEMBL146550
- 17alpha-Methyl-19-demethylpregna-4,9-diene-3,20-dione
- CHEMBL2104231
- (8S,13S,14S,17S)-17-acetyl-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
- NS00044143
- DEMEGESTONE [MART.]
- 19-Norpregna-4,9-diene-3,20-dione, 17-methyl-
- AKOS040746746
- D07223
- R 2453
- Demegestone (INN)
- NSC 118189
- CS-0062662
- Demegestona
- DEMEGESTONE [WHO-DD]
- DEMEGESTONE [INN]
- Demegestona [INN-Spanish]
- UNII-6E89AM91SZ
- Demegestonum [INN-Latin]
- Q5255131
-
- Inchi： 1S/C21H28O2/c1-13(22)20(2)11-9-19-18-6-4-14-12-15(23)5-7-16(14)17(18)8-10-21(19,20)3/h12,18-19H,4-11H2,1-3H3/t18-,19+,20-,21+/m1/s1
- InChI Key： JWAHBTQSSMYISL-MHTWAQMVSA-N
- SMILES： O=C(C)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(CCC4=C3CC[C@@]21C)=O
Computed Properties
- Exact Mass: 312.20900
- Monoisotopic Mass: 312.209
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 653
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 34.1A^2
- XLogP3: 2.8
Experimental Properties
- Color/Form: Solid powder
- Density: 1.11
- Melting Point: 106°
- Boiling Point: 475.5°Cat760mmHg
- Flash Point: 176.6°C
- Refractive Index: 1.557
- PSA: 34.14000
- LogP: 4.78770
- Specific Rotation: D -275° (c = 0.5 in ethanol)
19-Norpregna-4,9-diene-3,20-dione,17-methyl- Security Information
- Signal Word：Warning
- Storage Condition：Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).
19-Norpregna-4,9-diene-3,20-dione,17-methyl- Related Literature
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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