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Cyproterone Acetate EP Impurity J

CAT: 1596-AR-C03879-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAS Number
15423-97-9
Synonyms
(1R,3aS,3bR,3cS,4aR,6aR,7aS,7bS,7cS,9aS) -1-acetyl-7b,9a-dimethyl-6-oxo-1,2,3,3a,3b,3c,4a,6,6a,7,7a,7b,7c,8,9,9a-hexadecahydrocyclopenta[1,2]cyclopropa[5,6]phenanthro[9,10-b]oxiren-1-yl acetate; (1?,2?,6?,7?) -17- (Acetyloxy) -6,7-epoxy-1,2-dihydro-3'H-cyclopropa[1,2]pregna-1,4-diene-3,20-dione; 6?,7?-Epoxy-1?,2?-dihydro-17-hydroxy-3'H-cyclopropa[1,2]pregna-1,4-diene-3,20-dione Acetate
Molecular Formula
C24H30O5
Molecular Weight
398.5
API Name
Cyproterone

Chemical Information

6-Deschloro-6,7-epoxy Cyproterone Acetate
CAS Number15423-97-9
PubChem CID13423625
IUPAC Name[(1S,2S,3S,5R,9R,11S,12R,13S,16R,17S)-16-acetyl-2,17-dimethyl-6-oxo-10-oxahexacyclo[10.7.0.02,8.03,5.09,11.013,17]nonadec-7-en-16-yl] acetate
Molecular FormulaC24H30O5
Molecular Weight398.5
XLogP2.2
Topological Polar Surface Area73
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity890
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]4[C@H](O4)C5=CC(=O)[C@@H]6C[C@@H]6[C@]35C)C)OC(=O)C
InChI
InChI=1S/C24H30O5/c1-11(25)24(29-12(2)26)8-6-14-19-15(5-7-22(14,24)3)23(4)16-9-13(16)18(27)10-17(23)20-21(19)28-20/h10,13-16,19-21H,5-9H2,1-4H3/t13-,14+,15+,16+,19+,20-,21+,22+,23+,24+/m1/s1
InChIKey
XFELGPWPVWOTLJ-IWMHJGDMSA-N
Chemical Structure
2D Structure
2D structure of 6-Deschloro-6,7-epoxy Cyproterone Acetate
CAS: 15423-97-9
CID: 13423625
Formula: C24H30O5
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass398.20932405
Monoisotopic Mass398.20932405
Topological Polar Surface Area73 Ų
Heavy Atom Count29
Formal Charge0
Complexity890
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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