(Translated by https://www.hiragana.jp/)
Marvin 12100911412D
22 25 0 0 0 0 999 V2000
15.4267 -10.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4267 -11.2926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
16.1377 -11.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8488 -11.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8488 -10.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1377 -10.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1377 -12.5475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.6854 -11.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1455 -10.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.6854 -10.1633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
18.0200 -12.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.8566 -12.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3167 -11.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.9820 -10.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6738 -11.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9627 -11.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.9364 -9.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9627 -10.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.6738 -10.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1680 -10.2051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.7079 -10.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1680 -11.5436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
1 6 1 0 0 0 0
3 7 2 0 0 0 0
4 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
5 10 1 0 0 0 0
8 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
9 14 2 0 0 0 0
2 15 1 0 0 0 0
15 16 1 0 0 0 0
10 17 1 0 0 0 0
16 18 2 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
16 22 1 0 0 0 0
M END
>
CHEBI:253342
>
alosetron
>
A pyrido[4,3-b]indole compound having a 5-methyl-1H-imidazol-4-ylmethyl group at the 2-position.
>
3
>
2,3,4,5-Tetrahydro-5-methyl-2-((5-methyl-1H-imidazol-4-yl)methyl)-1H-pyrido(4,3-b)indol-1-one
>
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one
>
alosetron
>
C17H18N4O
>
294.35100
>
294.14806
>
0
>
Cc1[nH]cnc1CN1CCc2c(C1=O)c1ccccc1n2C
>
InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)
>
JSWZEAMFRNKZNL-UHFFFAOYSA-N
>
7140558
>
122852-42-0
>
122852-42-0
>
DB00969
>
D07129
>
LSM-5576
>
Alosetron
$$$$