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19824-98-7 | 10H-Pyrido[3,2-b][1,4]benzothiazine, 3-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-, hydrochloride (1:2)
CAS No: 19824-98-7 Catalog No: AG002BEJ MDL No:
Product Description
Catalog Number:
AG002BEJ
Chemical Name:
10H-Pyrido[3,2-b][1,4]benzothiazine, 3-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-, hydrochloride (1:2)
CAS Number:
19824-98-7
Molecular Formula:
C19H25Cl3N4S
Molecular Weight:
447.8526
IUPAC Name:
3-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]pyrido[3,2-b][1,4]benzothiazine;dihydrochloride
InChI:
InChI=1S/C19H23ClN4S.2ClH/c1-22-9-11-23(12-10-22)7-4-8-24-16-5-2-3-6-17(16)25-18-13-15(20)14-21-19(18)24;;/h2-3,5-6,13-14H,4,7-12H2,1H3;2*1H
InChI Key:
KPOKZRXFRZGRIK-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)CCCN1c2ccccc2Sc2c1ncc(c2)Cl.Cl.Cl
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.087g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
447.847g/mol
Monoisotopic Mass:
446.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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