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54663-47-7 | tibezonium iodide
CAS No: 54663-47-7 Catalog No: AG00DBE3 MDL No:
Product Description
Catalog Number:
AG00DBE3
Chemical Name:
tibezonium iodide
CAS Number:
54663-47-7
IUPAC Name:
diethyl-methyl-[2-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethyl]azanium;iodide
InChI:
InChI=1S/C28H32N3S2.HI/c1-4-31(3,5-2)19-20-32-28-21-27(29-25-13-9-10-14-26(25)30-28)22-15-17-24(18-16-22)33-23-11-7-6-8-12-23;/h6-18H,4-5,19-21H2,1-3H3;1H/q+1;/p-1
InChI Key:
YTSPICCNZMNDQT-UHFFFAOYSA-M
EC Number:
259-284-1
UNII:
E9P274AJEW
NSC Number:
308905
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
601.108g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
601.609g/mol
Monoisotopic Mass:
601.108g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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