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Home > Indoles and Oxindole > 728930-30-1
728930-30-1 | ent-Calindol Hydrochloride
CAS No: 728930-30-1 Catalog No: AG005O0T MDL No:
Product Description
Catalog Number:
AG005O0T
Chemical Name:
ent-Calindol Hydrochloride
CAS Number:
728930-30-1
Molecular Formula:
C21H21ClN2
Molecular Weight:
336.8578
IUPAC Name:
N-(1H-indol-2-ylmethyl)-1-naphthalen-1-ylethanamine;hydrochloride
InChI:
InChI=1S/C21H20N2.ClH/c1-15(19-11-6-9-16-7-2-4-10-20(16)19)22-14-18-13-17-8-3-5-12-21(17)23-18;/h2-13,15,22-23H,14H2,1H3;1H
InChI Key:
KFILKQPBQZIRST-UHFFFAOYSA-N
SMILES:
CC(c1cccc2c1cccc2)NCc1cc2c([nH]1)cccc2.Cl
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.139g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
336.863g/mol
Monoisotopic Mass:
336.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| N2-benzyl-N1-(1-(1-naphthyl)ethyl)-3-phenylpropane-1,2-diamines and conformationally restrained indole analogues: development of calindol as a new calcimimetic acting at the calcium sensing receptor. | Bioorganic & medicinal chemistry letters 20040621 |
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