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142575-15-3 | trimethyl-[(13S,17S)-13-methyl-3-[2-(1-methyl-2,3,4,5-tetrahydropyrrol -1-yl)ethoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanth ren-17-yl]azanium diiodide
CAS No: 142575-15-3 Catalog No: AG00A9PL MDL No:
Product Description
Catalog Number:
AG00A9PL
Chemical Name:
trimethyl-[(13S,17S)-13-methyl-3-[2-(1-methyl-2,3,4,5-tetrahydropyrrol -1-yl)ethoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanth ren-17-yl]azanium diiodide
CAS Number:
142575-15-3
IUPAC Name:
trimethyl-[(13S,17S)-13-methyl-3-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]azanium;diiodide
InChI:
InChI=1S/C28H46N2O.2HI/c1-28-15-14-24-23-11-9-22(31-19-18-30(5)16-6-7-17-30)20-21(23)8-10-25(24)26(28)12-13-27(28)29(2,3)4;;/h9,11,20,24-27H,6-8,10,12-19H2,1-5H3;2*1H/q+2;;/p-2/t24?,25?,26?,27-,28-;;/m0../s1
InChI Key:
MIPZZCBTBXCBDR-KMZHGQMHSA-L
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
680.17g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
680.498g/mol
Monoisotopic Mass:
680.17g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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