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29573-87-3 | 1-Propanone, 3-[4-(2-hydroxyethyl)-1-piperazinyl]-1-(10H-phenothiazin-10-yl)-, hydrochloride (1:2)
CAS No: 29573-87-3 Catalog No: AG002YSU MDL No:
Product Description
Catalog Number:
AG002YSU
Chemical Name:
1-Propanone, 3-[4-(2-hydroxyethyl)-1-piperazinyl]-1-(10H-phenothiazin-10-yl)-, hydrochloride (1:2)
CAS Number:
29573-87-3
Molecular Formula:
C21H27Cl2N3O2S
Molecular Weight:
456.4290
IUPAC Name:
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenothiazin-10-ylpropan-1-one;dihydrochloride
InChI:
InChI=1S/C21H25N3O2S.2ClH/c25-16-15-23-13-11-22(12-14-23)10-9-21(26)24-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)24;;/h1-8,25H,9-16H2;2*1H
InChI Key:
LTWLHRVVHNBGBR-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)CCC(=O)N1c2ccccc2Sc2c1cccc2.Cl.Cl
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.12g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
456.426g/mol
Monoisotopic Mass:
455.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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