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753475-15-9 | 11-(1-PIPERAZINYL)-DIBENZO[B,F][1,4]THIAZEPIN HYDROCHLORIDE
CAS No: 753475-15-9 Catalog No: AG00GHOG MDL No:
Product Description
Catalog Number:
AG00GHOG
Chemical Name:
11-(1-PIPERAZINYL)-DIBENZO[B,F][1,4]THIAZEPIN HYDROCHLORIDE
CAS Number:
753475-15-9
IUPAC Name:
6-piperazin-1-ylbenzo[b][1,4]benzothiazepine;hydrochloride
InChI:
InChI=1S/C17H17N3S.ClH/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15;/h1-8,18H,9-12H2;1H
InChI Key:
MJPARFLICDXWJT-UHFFFAOYSA-N
EC Number:
616-214-8
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.862g/mol
Monoisotopic Mass:
331.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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