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Home > Indoles and Oxindole > 1197333-54-2
1197333-54-2 | 1H-Indol-5-ol, 3-(1-methyl-4-piperidinyl)-, (2Z)-2-butenedioate (1:1)
CAS No: 1197333-54-2 Catalog No: AG000PK0 MDL No:
Product Description
Catalog Number:
AG000PK0
Chemical Name:
1H-Indol-5-ol, 3-(1-methyl-4-piperidinyl)-, (2Z)-2-butenedioate (1:1)
CAS Number:
1197333-54-2
Molecular Formula:
C18H22N2O5
Molecular Weight:
346.3777
IUPAC Name:
(Z)-but-2-enedioic acid;3-(1-methylpiperidin-4-yl)-1H-indol-5-ol
InChI:
InChI=1S/C14H18N2O.C4H4O4/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14;5-3(6)1-2-4(7)8/h2-3,8-10,15,17H,4-7H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChI Key:
INGCLXPSKXSYND-BTJKTKAUSA-N
SMILES:
CN1CCC(CC1)c1c[nH]c2c1cc(O)cc2.OC(=O)/C=C\C(=O)O
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
346.153g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
346.383g/mol
Monoisotopic Mass:
346.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum. | Nature chemical biology 20091001 |
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