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Home > Indoles and Oxindole > 170964-68-8
170964-68-8 | Tetrindole mesylate
CAS No: 170964-68-8 Catalog No: AG01E6VW MDL No:
Product Description
Catalog Number:
AG01E6VW
Chemical Name:
Tetrindole mesylate
CAS Number:
170964-68-8
Molecular Formula:
C21H30N2O3S
Molecular Weight:
390.5395
IUPAC Name:
12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene;methanesulfonic acid
InChI:
InChI=1S/C20H26N2.CH4O3S/c1-2-5-14(6-3-1)15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18;1-5(2,3)4/h9-10,13-14,18,21H,1-8,11-12H2;1H3,(H,2,3,4)
InChI Key:
CWPNPYVNPOAMHY-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)c1ccc2c(c1)c1CCCC3c1n2CCN3.CS(=O)(=O)O
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.198g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
390.542g/mol
Monoisotopic Mass:
390.198g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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