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17alpha-propionate

CAS No.:
19608-29-8
Catalog Number:
AG00ABGC
Molecular Formula:
C24H34O5
Molecular Weight:
402.5238
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
98%
1 week
United States
$321
- +
500mg
98%
1 week
United States
$821
- +
Product Description
Catalog Number:
AG00ABGC
Chemical Name:
17alpha-propionate
CAS Number:
19608-29-8
Molecular Formula:
C24H34O5
Molecular Weight:
402.5238
MDL Number:
MFCD18384978
IUPAC Name:
[(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate
InChI:
InChI=1S/C24H34O5/c1-4-21(28)29-24(20(27)14-25)12-9-19-17-6-5-15-13-16(26)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,25H,4-12,14H2,1-3H3/t17-,18+,19+,22+,23+,24+/m1/s1
InChI Key:
GPNHMOZDMYNCPO-PDUMRIMRSA-N
SMILES:
CCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)C(=O)CO
UNII:
XN7MM8XG2M
Properties
Complexity:
769  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
402.241g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
402.531g/mol
Monoisotopic Mass:
402.241g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Cortexolone 17α-propionate 1% cream, a new potent antiandrogen for topical treatment of acne vulgaris. A pilot randomized, double-blind comparative study vs. placebo and tretinoin 0·05% cream. The British journal of dermatology 20110701
Biological profile of cortexolone 17alpha-propionate (CB-03-01), a new topical and peripherally selective androgen antagonist. Arzneimittel-Forschung 20040101
Properties