Home Other Building Blocks SALMETEROL-D3 (3-HYDROXYMETHYL-D2, ALPHA-D1)

SALMETEROL-D3 (3-HYDROXYMETHYL-D2, ALPHA-D1)

CAS No.:
497063-94-2
Catalog Number:
AG00D934
Molecular Formula:
C25H34D3NO4
Molecular Weight:
418.5841
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥99% deuterated forms (d<sub>1</sub>-d<sub>3</sub>)
1 week
United States
$355
- +
Product Description
Catalog Number:
AG00D934
Chemical Name:
SALMETEROL-D3 (3-HYDROXYMETHYL-D2, ALPHA-D1)
CAS Number:
497063-94-2
Molecular Formula:
C25H34D3NO4
Molecular Weight:
418.5841
MDL Number:
MFCD06658792
IUPAC Name:
4-[1-deuterio-1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-[dideuterio(hydroxy)methyl]phenol
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
InChI Key:
GIIZNNXWQWCKIB-LPUTUNIKSA-N
SMILES:
Oc1ccc(cc1C(O)([2H])[2H])C(CNCCCCCCOCCCCc1ccccc1)(O)[2H]
Properties
Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.291g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
3  
Molecular Weight:
418.592g/mol
Monoisotopic Mass:
418.291g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties