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Betamethasone Acid

CAT: 0572-TRC-B327125-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B327125-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
37926-75-3
Synonyms
(11β,16β,17α)-9-Fluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic Acid; 9-Fluoro-11β,17-dihydroxy-16β-methyl-3-oxoandrosta-1,4-diene-17β-carboxylic Acid;
Hazard Statement
May be harmful if swallowed.
Smiles
O=C1C=C[C@@]2(C)C(CC[C@]3([H])[C@]2(F)[C@H](O)C[C@@]4(C)[C@@]3([H])C[C@H](C)[C@]4(O)C(O)=O)=C1
Molecular Formula
C21H27FO5
Molecular Weight
378.43
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(8S,10S,11S,13S,14S,16S)-9-Fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta(a)phenanthrene-17-carboxylic acid
CAS Number37926-75-3
PubChem CID12878401
IUPAC Name(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid
Molecular FormulaC21H27FO5
Molecular Weight378.4
XLogP2
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity789
SMILES
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)O)O)C)O)F)C
InChI
InChI=1S/C21H27FO5/c1-11-8-15-14-5-4-12-9-13(23)6-7-18(12,2)20(14,22)16(24)10-19(15,3)21(11,27)17(25)26/h6-7,9,11,14-16,24,27H,4-5,8,10H2,1-3H3,(H,25,26)/t11-,14-,15-,16-,18-,19-,20-,21-/m0/s1
InChIKey
PFAGPIFFRLDBRN-IFUSVGBSSA-N
Chemical Structure
2D Structure
2D structure of (8S,10S,11S,13S,14S,16S)-9-Fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta(a)phenanthrene-17-carboxylic acid
CAS: 37926-75-3
CID: 12878401
Formula: C21H27FO5
MW: 378.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.4
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass378.18425212
Monoisotopic Mass378.18425212
Topological Polar Surface Area94.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity789
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

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Alternative Products

CatalogName
MBA92675Betamethasone acid
ESS0378-0111-Oxo-Betamethasone-17-Carboxylic Acid
411870-01(11β,16β,17α,20R) -9-Fluoro-11,20-dihydroxy-16-methyl-3-oxopregna-1,4-dien-21-oic Acid (Betamethasone Impurity)
B1896-5.1Betamethasone

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