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Prednicarbate

CAT: 1299-RM-P181000-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P181000-03Size:50 mg
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CAS Number
73771-04-7
Synonyms
2- ((8S,9S,10R,11S,13S,14S,17R) -17- ((ethoxycarbonyl) oxy) -11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl) -2-oxoethyl propionate
Molecular Formula
C27H36O8
Molecular Weight
488.57
Target Alternative Name
Prednicarbate
Product Name Synonym
2- ((8S,9S,10R,11S,13S,14S,17R) -17- ((ethoxycarbonyl) oxy) -11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl) -2-oxoethyl propionate

Chemical Information

Prednicarbate

Prednicarbate is a corticosteroid hormone.

CAS Number73771-04-7
PubChem CID6714002
IUPAC Name[2-[(8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
Molecular FormulaC27H36O8
Molecular Weight488.6
XLogP4.2
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity982
SMILES
CCC(=O)OCC(=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)OC(=O)OCC
InChI
InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1
InChIKey
FNPXMHRZILFCKX-KAJVQRHHSA-N
Chemical Structure
2D Structure
2D structure of Prednicarbate
CAS: 73771-04-7
CID: 6714002
Formula: C27H36O8
MW: 488.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.6
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass488.24101810
Monoisotopic Mass488.24101810
Topological Polar Surface Area116 Ų
Heavy Atom Count35
Formal Charge0
Complexity982
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
T21443-01Prednicarbate
HY-B1365RPrednicarbate (Standard)
sc-477051Prednicarbate-d3
FP179099-01Prednicarbate, USP
FP172966-01Prednicarbate - EP
AR-P02607-01Prednicarbate Related Compound A
WBB22526-011,2-Dihydro prednicarbate
AR-P02610-01Prednicarbate EP Impurity E
TRC-P049830-500MGPrednicarbate-11-Propanoate
AR-P32402-01Prednicarbate Impurity 1

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