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Salmeterol-D3

CAT: 1134-ESS0178-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1134-ESS0178-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
497063-94-2
Structure Composition
C 71.73% H 8.19% N 3.35% O 15.29% D 1.44%
Synonyms
4-Hydroxy-α1[[[6- (4-phenylbutoxy) hexyl]amino]methyl]-1,3-benzenedimethanol-d3; GR-33343X-d3
UDF Signal Word
NONE
Hazard Statement
Not dangerous goods.
Applications
Labelled analog of Salmeterol
Molecular Formula
C25H34NO4D3
Molecular Weight
418.59603
Packaging Group
Not Available. Not dangerous goods.
Shipping Conditions
Room temerature
Storage Conditions
Freezer @ -20ºC
Hazardous Class
Not dangerous goods.

Chemical Information

Salmeterol-d3
CAS Number497063-94-2
PubChem CID10938665
IUPAC Name4-[1-deuterio-1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-[dideuterio(hydroxy)methyl]phenol
Molecular FormulaC25H37NO4
Molecular Weight418.6
XLogP3.9
Topological Polar Surface Area82
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Heavy Atom Count30
Formal Charge0
Complexity403
SMILES
[2H]C([2H])(C1=C(C=CC(=C1)C([2H])(CNCCCCCCOCCCCC2=CC=CC=C2)O)O)O
InChI
InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2/i20D2,25D
InChIKey
GIIZNNXWQWCKIB-LPUTUNIKSA-N
Chemical Structure
2D Structure
2D structure of Salmeterol-d3
CAS: 497063-94-2
CID: 10938665
Formula: C25H37NO4
MW: 418.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.6
XLogP33.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Exact Mass418.29108890
Monoisotopic Mass418.29108890
Topological Polar Surface Area82 Ų
Heavy Atom Count30
Formal Charge0
Complexity403
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
CS-O-03000Salmeterol-d3
HY-17453S-01Salmeterol-d3 (xinafoate)
CS-O-56869Alpha-Hydroxy salmeterol-d3
S090101(±)-Salmeterol-d3 Xinafoate (3-hydroxymethyl-d2; α-d1)
MBS3614526-01Salmeterol

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