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3478-15-7 | etipirium iodide
CAS No: 3478-15-7 Catalog No: AG00CJ53 MDL No:
Product Description
Catalog Number:
AG00CJ53
Chemical Name:
etipirium iodide
CAS Number:
3478-15-7
IUPAC Name:
2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate;iodide
InChI:
InChI=1S/C21H26NO3.HI/c1-22(14-8-9-15-22)16-17-25-20(23)21(24,18-10-4-2-5-11-18)19-12-6-3-7-13-19;/h2-7,10-13,24H,8-9,14-17H2,1H3;1H/q+1;/p-1
InChI Key:
PCLIRWBVOVZTOK-UHFFFAOYSA-M
EC Number:
222-453-5
UNII:
D6FH7ALQ18
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.096g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
467.347g/mol
Monoisotopic Mass:
467.096g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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