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Lonaprisan 100mg

CAT: 0628-A14130-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A14130-100Size:100 mg
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CAS Number
211254-73-8

Chemical Information

Lonaprisan

Lonaprisan is under investigation in clinical trial NCT00555919 (ZK 230211 in Postmenopausal Woman With Metastatic Breast Cancer).

CAS Number211254-73-8
PubChem CID6918548
IUPAC Name(8S,11R,13S,14S,17S)-11-(4-acetylphenyl)-17-hydroxy-13-methyl-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC28H29F5O3
Molecular Weight508.5
XLogP4.5
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count36
Formal Charge0
Complexity1020
SMILES
CC(=O)C1=CC=C(C=C1)[C@H]2C[C@]3([C@@H](CC[C@]3(C(C(F)(F)F)(F)F)O)[C@H]4C2=C5CCC(=O)C=C5CC4)C
InChI
InChI=1S/C28H29F5O3/c1-15(34)16-3-5-17(6-4-16)22-14-25(2)23(11-12-26(25,36)27(29,30)28(31,32)33)21-9-7-18-13-19(35)8-10-20(18)24(21)22/h3-6,13,21-23,36H,7-12,14H2,1-2H3/t21-,22+,23-,25-,26-/m0/s1
InChIKey
VHZPUDNSVGRVMB-RXDLHWJPSA-N
Chemical Structure
2D Structure
2D structure of Lonaprisan
CAS: 211254-73-8
CID: 6918548
Formula: C28H29F5O3
MW: 508.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass508.20368559
Monoisotopic Mass508.20368559
Topological Polar Surface Area54.4 Ų
Heavy Atom Count36
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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