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1175-88-8 | 10-[3-(dimethylammonio)-2-methylpropyl]-10H-phenothiazinium [R-(R*,R*)]-tartrate
CAS No: 1175-88-8 Catalog No: AG009OCT MDL No:
Product Description
Catalog Number:
AG009OCT
Chemical Name:
10-[3-(dimethylammonio)-2-methylpropyl]-10H-phenothiazinium [R-(R*,R*)]-tartrate
CAS Number:
1175-88-8
IUPAC Name:
(2R,3R)-2,3-dihydroxybutanedioic acid;N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine
InChI:
InChI=1S/C18H22N2S.C4H6O6/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;5-1(3(7)8)2(6)4(9)10/h4-11,14H,12-13H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChI Key:
ZEEPCWVFSHMOPI-LREBCSMRSA-N
EC Number:
214-642-6
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
448.167g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
448.534g/mol
Monoisotopic Mass:
448.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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