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Home > Indoles and Oxindole > 1630022-99-9
1630022-99-9 | JWH 073 5-hydroxyindole metabolite-d7
CAS No: 1630022-99-9 Catalog No: AG00AQB9 MDL No:
Product Description
Catalog Number:
AG00AQB9
Chemical Name:
JWH 073 5-hydroxyindole metabolite-d7
CAS Number:
1630022-99-9
Molecular Formula:
C23H14D7NO2
Molecular Weight:
350.4615
IUPAC Name:
[1-(2,2,3,3,4,4,4-heptadeuteriobutyl)-5-hydroxyindol-3-yl]-naphthalen-1-ylmethanone
InChI:
InChI=1S/C23H21NO2/c1-2-3-13-24-15-21(20-14-17(25)11-12-22(20)24)23(26)19-10-6-8-16-7-4-5-9-18(16)19/h4-12,14-15,25H,2-3,13H2,1H3/i1D3,2D2,3D2
InChI Key:
JZGAGMUTAYXMMJ-NCKGIQLSSA-N
SMILES:
Oc1ccc2c(c1)c(cn2CC(C(C([2H])([2H])[2H])([2H])[2H])([2H])[2H])C(=O)c1cccc2c1cccc2
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.201g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
7
Molecular Weight:
350.469g/mol
Monoisotopic Mass:
350.201g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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