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Cicortonide

CAT: 1299-RM-C324000-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C324000-04Size:100 mg
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CAS Number
19705-61-4
Synonyms
2- ((6aS,6bR,7S,8aS,8bS,11aR,12aS,12bS) -4- (2-chloroethoxy) -2-cyano-6b-fluoro-7-hydroxy-6a,8a,10,10-tetramethyl-1,5,6,6a,6b,7,8,8a,11a,12,12a,12b-dodecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl) -2-oxoethyl acetate
Molecular Formula
C29H37ClFNO7
Molecular Weight
566.06
Target Alternative Name
Cicortonide
Product Name Synonym
2- ((6aS,6bR,7S,8aS,8bS,11aR,12aS,12bS) -4- (2-chloroethoxy) -2-cyano-6b-fluoro-7-hydroxy-6a,8a,10,10-tetramethyl-1,5,6,6a,6b,7,8,8a,11a,12,12a,12b-dodecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl) -2-oxoethyl acetate

Chemical Information

Cicortonide

Cicortonide is a small molecule drug. Cicortonide has a monoisotopic molecular weight of 565.22 Da.

CAS Number19705-61-4
PubChem CID20055442
IUPAC Name[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-16-(2-chloroethoxy)-19-cyano-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-dien-8-yl]-2-oxoethyl] acetate
Molecular FormulaC29H37ClFNO7
Molecular Weight566.1
XLogP4.1
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity1210
SMILES
CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CC(=C5[C@@]4(CCC(=C5)OCCCl)C)C#N)F)O)C)OC(O2)(C)C
InChI
InChI=1S/C29H37ClFNO7/c1-16(33)37-15-23(35)29-24(38-25(2,3)39-29)12-20-21-10-17(14-32)19-11-18(36-9-8-30)6-7-26(19,4)28(21,31)22(34)13-27(20,29)5/h11,20-22,24,34H,6-10,12-13,15H2,1-5H3/t20-,21-,22-,24+,26-,27-,28-,29+/m0/s1
InChIKey
SOESEFMFRCCMQV-QWAPGEGQSA-N
Chemical Structure
2D Structure
2D structure of Cicortonide
CAS: 19705-61-4
CID: 20055442
Formula: C29H37ClFNO7
MW: 566.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight566.1
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass565.2242584
Monoisotopic Mass565.2242584
Topological Polar Surface Area115 Ų
Heavy Atom Count39
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AR-C02758-01Cicortonide

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