| Entry |
|
|---|
| Name |
18-502;
4-(2-Hydroxy-3-tert-butylaminopropoxy)-2-methylindole;
4-(3-t-Butylamino-2-hydroxypropoxy)-2-methylindole
|
|---|
| Formula |
C16H24N2O2
|
|---|
| Exact mass |
276.1838
|
|---|
| Mol weight |
276.374
|
|---|
| Structure |
|
|---|
| Comment |
Active metabolite of bopindolol
|
|---|
| Brite |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 20
1 O2a O 13.3773 -15.2079
2 C8y C 13.3773 -16.5333
3 C8x C 14.6330 -17.2309
4 C8x C 14.6330 -18.6261
5 C8x C 13.3773 -19.3237
6 C8y C 12.1914 -17.2309
7 C8y C 12.1914 -18.6261
8 N4x N 10.8659 -19.0446
9 C8y C 10.0288 -17.8587
10 C8x C 10.8659 -16.7426
11 C1a C 8.6336 -17.8587
12 C1b C 14.6330 -14.5103
13 C1c C 15.8189 -15.2079
14 C1b C 17.0048 -14.5103
15 N1b N 18.1907 -15.2079
16 C1d C 19.3766 -14.5103
17 C1a C 20.6323 -15.2079
18 C1a C 19.3766 -13.1151
19 C1a C 20.6323 -13.7429
20 O1a O 15.8189 -16.6031
BOND 21
1 2 3 2
2 3 4 1
3 4 5 2
4 5 7 1
5 6 2 1
6 1 2 1
7 6 7 2
8 7 8 1
9 8 9 1
10 9 10 2
11 10 6 1
12 9 11 1
13 1 12 1
14 12 13 1
15 16 17 1
16 16 18 1
17 16 19 1
18 13 14 1
19 14 15 1
20 15 16 1
21 13 20 1
|
|---|
