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Cyproterone Acetate EP Impurity G

CAT: 1596-AR-C03876-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAS Number
23814-84-8
Synonyms
(2aR,3aS,3bS,3cS,5aS,6R,8aS,8bR,9S,10S) -6-acetyl-10-chloro-9-hydroxy-3b,5a-dimethyl-2-oxo-2,2a,3,3a,3b,3c,4,5,5a,6,7,8,8a,8b,9,10-hexadecahydrocyclopenta[a]cyclopropa[g]phenanthren-6-yl acetate
Molecular Formula
C24H31ClO5
Molecular Weight
434.96
API Name
Cyproterone

Chemical Information

3'H-Cyclopropa[1,2]pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-7-hydroxy-, (1beta,2beta,6beta,7alpha)-
CAS Number23814-84-8
PubChem CID13423627
IUPAC Name[(1S,2S,3S,5R,9S,10S,11R,12S,15R,16S)-15-acetyl-9-chloro-10-hydroxy-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadec-7-enyl] acetate
Molecular FormulaC24H31ClO5
Molecular Weight435.0
XLogP2.5
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity881
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@H](C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)O)C)OC(=O)C
InChI
InChI=1S/C24H31ClO5/c1-11(26)24(30-12(2)27)8-6-14-19-15(5-7-22(14,24)3)23(4)16-9-13(16)18(28)10-17(23)20(25)21(19)29/h10,13-16,19-21,29H,5-9H2,1-4H3/t13-,14+,15+,16+,19+,20+,21+,22+,23+,24+/m1/s1
InChIKey
MQCUOQYFPPINFT-SXXHTHPYSA-N
Chemical Structure
2D Structure
2D structure of 3'H-Cyclopropa[1,2]pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-7-hydroxy-, (1beta,2beta,6beta,7alpha)-
CAS: 23814-84-8
CID: 13423627
Formula: C24H31ClO5
MW: 435.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.0
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass434.1860018
Monoisotopic Mass434.1860018
Topological Polar Surface Area80.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity881
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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