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Deprodone

CAT: 0926-FD36797-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FD36797-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20423-99-8
MDL Number
MFCD00867449
Smiles
CC (=O) [C@]1 (CC[C@@H]2[C@@]1 (C[C@@H] ([C@H]3[C@H]2CCC4=CC (=O) C=C[C@]34C) O) C) O
Molecular Weight
344.45 g/mol
Controlled
Yes

Chemical Information

Deprodone
CAS Number20423-99-8
PubChem CID10969997
IUPAC Name(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC21H28O4
Molecular Weight344.4
XLogP1.7
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity707
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O
InChI
InChI=1S/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h6,8,10,15-18,24-25H,4-5,7,9,11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1
InChIKey
KQZSMOGWYFPKCH-UJPCIWJBSA-N
Chemical Structure
2D Structure
2D structure of Deprodone
CAS: 20423-99-8
CID: 10969997
Formula: C21H28O4
MW: 344.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass344.19875937
Monoisotopic Mass344.19875937
Topological Polar Surface Area74.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity707
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

Alternative Products

CatalogName
T206285-01Deprodone
MBS5756108Deprodone propionate
RM-P160519-01Prednisolone Acetate EP Impurity D; Deprodone

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