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Budesonide-d6

CAT: 0572-TRC-B689493-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B689493-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1134189-63-1
Synonyms
(11β,16α)-16,17-[Butylidenebis(oxy)]-11,21-dihydroxypregna-1,4-diene-3,20-dione-d6; Bidien-d6; Budenofalk-d6; Budesomide-d6; Budeson-d6; Cortivent-d6; Entocort-d6; Micronyl-d6; Nebuampul-d6; Preferid-d6; Pulmicort-d6; Respules-d6; Rhinocort-d6; Rhinocort Aqua-d6-d6; S 1320-d6; Spirocort-d6; Turbuhaler-d6;
Hazard Statement
May be harmful if swallowed.
Purity
>95% (HPLC)
Smiles
O=C1C([2H])=C[C@@]2(C)C(C([2H])([2H])C[C@]3([H])[C@]2([H])[C@H](O)C[C@@]4(C)[C@]3([H])C[C@@H](OC(CCC)O5)[C@]45C(C([2H])([2H])O)=O)=C1[2H]
Molecular Formula
C25H28D6O6
Molecular Weight
436.57
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Budesonide-d6
CAS Number1134189-63-1
PubChem CID44517238
IUPAC Name(1S,2S,4R,8S,9S,11S,12S,13R)-15,17,19,19-tetradeuterio-8-(2,2-dideuterio-2-hydroxyacetyl)-11-hydroxy-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Molecular FormulaC25H34O6
Molecular Weight436.6
XLogP2.5
Topological Polar Surface Area93.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity862
SMILES
[2H]C1=C[C@@]2([C@H]3[C@H](C[C@]4([C@H]([C@@H]3CC(C2=C(C1=O)[2H])([2H])[2H])C[C@@H]5[C@]4(OC(O5)CCC)C(=O)C([2H])([2H])O)C)O)C
InChI
InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1/i6D2,8D,10D,13D2
InChIKey
VOVIALXJUBGFJZ-USIGUGKCSA-N
Chemical Structure
2D Structure
2D structure of Budesonide-d6
CAS: 1134189-63-1
CID: 44517238
Formula: C25H34O6
MW: 436.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.6
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass436.27319928
Monoisotopic Mass436.27319928
Topological Polar Surface Area93.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity862
Isotope Atom Count6
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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