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Xanomeline oxalate

CAS No.:
141064-23-5
Catalog Number:
AG001FU5
Molecular Formula:
C16H25N3O5S
Molecular Weight:
371.4518
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$93
- +
5mg
99%
1 week
United States
$190
- +
10mg
≥98%
1 week
United States
$237
- +
50mg
99%
1 week
United States
$907
- +
Product Description
Catalog Number:
AG001FU5
Chemical Name:
Xanomeline oxalate
CAS Number:
141064-23-5
Molecular Formula:
C16H25N3O5S
Molecular Weight:
371.4518
MDL Number:
MFCD12828778
IUPAC Name:
3-hexoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;oxalic acid
InChI:
InChI=1S/C14H23N3OS.C2H2O4/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12;3-1(4)2(5)6/h8H,3-7,9-11H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
ZJOUESNWCLASJP-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CCCCCCOc1nsnc1C1=CCCN(C1)C
UNII:
JF5A0PK3G5
Properties
Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.151g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
371.452g/mol
Monoisotopic Mass:
371.151g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties