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Home > Indoles and Oxindole > 17506-66-0
17506-66-0 | 1H-Indole, 5,6-dimethoxy-2-methyl-3-[2-(4-phenyl-1-piperazinyl)ethyl]-, hydrochloride (1:1)
CAS No: 17506-66-0 Catalog No: AG00204A MDL No:
Product Description
Catalog Number:
AG00204A
Chemical Name:
1H-Indole, 5,6-dimethoxy-2-methyl-3-[2-(4-phenyl-1-piperazinyl)ethyl]-, hydrochloride (1:1)
CAS Number:
17506-66-0
Molecular Formula:
C23H30ClN3O2
Molecular Weight:
415.9562
IUPAC Name:
5,6-dimethoxy-2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-indole;hydrochloride
InChI:
InChI=1S/C23H29N3O2.ClH/c1-17-19(20-15-22(27-2)23(28-3)16-21(20)24-17)9-10-25-11-13-26(14-12-25)18-7-5-4-6-8-18;/h4-8,15-16,24H,9-14H2,1-3H3;1H
InChI Key:
USAPVNXIZYFWLO-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)[nH]c(c2CCN1CCN(CC1)c1ccccc1)C.Cl
EC Number:
254-955-5
UNII:
9P131473P6
NSC Number:
169107
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.203g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
415.962g/mol
Monoisotopic Mass:
415.203g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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