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Anecortave

CAT: 0572-TRC-A637640-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A637640-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7753-60-8
Synonyms
21-(Acetyloxy)-17-hydroxypregna-4,9(11)-diene-3,20-dione; Pregna-4,9(11)-diene-3,20-dione, 17,21-dihydroxy-, 21-acetate (6CI,7CI,8CI); 21-(Acetyloxy)-17-hydroxypregna-4,9(11)-diene-3,20-dione; 2-((10S,13S,17R)-17-Hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate; 21-Acetoxypregna-4,9(11)-dien-17α-ol-3,20-dione; Al 3789; Anecortave; Anecortave acetate; NSC 15475; NSC 24345; Retaane
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
Molecular Formula
C23 H30 O5
Molecular Weight
386.48
InChI
InChI=1S/C23H30O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h7,12,17,19,27H,4-6,8-11,13H2,1-3H3/t17-,19+,21+,22+,23+/m1/s1
Additionnal Information
IUPAC name: [2-[(8S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Anecortave Acetate

Anecortave acetate is an organic molecular entity.

CAS Number7753-60-8
PubChem CID111332
IUPAC Name[2-[(8S,10S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Molecular FormulaC23H30O5
Molecular Weight386.5
XLogP2.1
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity808
SMILES
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)CC[C@@]43C)C)O
InChI
InChI=1S/C23H30O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h7,12,17,19,27H,4-6,8-11,13H2,1-3H3/t17-,19+,21+,22+,23+/m1/s1
InChIKey
YUWPMEXLKGOSBF-GACAOOTBSA-N
Chemical Structure
2D Structure
2D structure of Anecortave Acetate
CAS: 7753-60-8
CID: 111332
Formula: C23H30O5
MW: 386.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.5
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass386.20932405
Monoisotopic Mass386.20932405
Topological Polar Surface Area80.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity808
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

Alternative Products

CatalogName
MBS5774824-01Anecortave
HY-116098-01Anecortave desacetate
259640-01Anecortave acetate
RM-A140502-01Anecortave Impurity 2
16011821-Desacetyl Anecortave
421362-0121-Desacetoxy Anecortave
AR-A06557-01Anecortave Impurity 1
AR-A06559-01Anecortave Impurity 5-d7
421363-0121-Desacetoxy-21-Chloro Anecortave
RM-H040323-01Delta-9 (11) -Hydrocortisone Acetate (Anecortave Acetate) ; Hydrocortisone Acetate EP Impurity E

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