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102233-26-1 | Methanone, [4-(2-hydroxyethyl)-1-piperazinyl]-10H-phenothiazin-10-yl-, hydrochloride (1:1)
CAS No: 102233-26-1 Catalog No: AG0006ZA MDL No:
Product Description
Catalog Number:
AG0006ZA
Chemical Name:
Methanone, [4-(2-hydroxyethyl)-1-piperazinyl]-10H-phenothiazin-10-yl-, hydrochloride (1:1)
CAS Number:
102233-26-1
Molecular Formula:
C19H22ClN3O2S
Molecular Weight:
391.9149
IUPAC Name:
[4-(2-hydroxyethyl)piperazin-1-yl]-phenothiazin-10-ylmethanone;hydrochloride
InChI:
InChI=1S/C19H21N3O2S.ClH/c23-14-13-20-9-11-21(12-10-20)19(24)22-15-5-1-3-7-17(15)25-18-8-4-2-6-16(18)22;/h1-8,23H,9-14H2;1H
InChI Key:
OAQAQPKSCPDCBO-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)C(=O)N1c2ccccc2Sc2c1cccc2.Cl
NSC Number:
659149
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.112g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
391.914g/mol
Monoisotopic Mass:
391.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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