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Loteprednol Impurity 10

CAT: 1596-AR-L01992-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L01992-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
207670-58-4
Synonyms
Chloromethyl 9-chloro-17?-ethoxycarbonyloxy-11?-hydroxy-3-oxoandrosta-1,4-diene-17?-carboxylate; (9R,10S,11S,13S,17R) -chloromethyl 9-chloro-17- (ethoxycarbonyloxy) -11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylate;9-Chloro 17-ethylcarbonate Loteprednol
Molecular Formula
C24H30Cl2O7
Molecular Weight
501.4
API Name
Loteprednol

Chemical Information

chloromethyl (8S,9R,10S,11S,13S,14S,17R)-9-chloro-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate
CAS Number207670-58-4
PubChem CID176485068
IUPAC Namechloromethyl (8S,9R,10S,11S,13S,14S,17R)-9-chloro-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate
Molecular FormulaC24H30Cl2O7
Molecular Weight501.4
XLogP3.4
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity932
SMILES
CCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C(=O)OCCl
InChI
InChI=1S/C24H30Cl2O7/c1-4-31-20(30)33-23(19(29)32-13-25)10-8-16-17-6-5-14-11-15(27)7-9-21(14,2)24(17,26)18(28)12-22(16,23)3/h7,9,11,16-18,28H,4-6,8,10,12-13H2,1-3H3/t16-,17-,18-,21-,22-,23-,24-/m0/s1
InChIKey
NIYURXVXAYWLDG-VTFYZQLFSA-N
Chemical Structure
2D Structure
2D structure of chloromethyl (8S,9R,10S,11S,13S,14S,17R)-9-chloro-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate
CAS: 207670-58-4
CID: 176485068
Formula: C24H30Cl2O7
MW: 501.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass500.1368587
Monoisotopic Mass500.1368587
Topological Polar Surface Area99.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity932
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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