| Entry |
|
|---|
| Name |
Thebacon (INN) |
|---|
| Formula |
C20H23NO4
|
|---|
| Exact mass |
341.1627
|
|---|
| Mol weight |
341.40
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Analgesic (narcotic), Antitussive |
|---|
| Comment |
Opium alkaloid
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
R RESPIRATORY SYSTEM
R05 COUGH AND COLD PREPARATIONS
R05D COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
R05DA Opium alkaloids and derivatives
R05DA10 Thebacon
D07386 Thebacon (INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 25
1 C8y C 17.7445 -13.5440
2 C8y C 17.7445 -14.8810
3 C8y C 18.9024 -15.5495
4 C8y C 20.0604 -14.8810
5 C8x C 20.0604 -13.5440
6 C8x C 18.9024 -12.8755
7 C1z C 18.9024 -16.8866
8 C1y C 20.0604 -17.5551
9 C1y C 21.2182 -16.8866
10 C1x C 21.2182 -15.5495
11 C1y C 17.7445 -17.5551
12 C2y C 17.7445 -18.8921
13 C2x C 18.9024 -19.5606
14 C1x C 20.0604 -18.8921
15 O2x O 16.8086 -16.2181
16 N1y N 22.3781 -17.5562
17 O2a O 16.5867 -12.8755
18 C1a C 15.4449 -13.5348
19 O7a O 16.5867 -19.5606
20 C7a C 15.4449 -18.9013
21 C1a C 14.3109 -19.5560
22 O6a O 15.4448 -17.5554
23 C1x C 19.8531 -15.9686
24 C1x C 22.3434 -15.9508
25 C1a C 23.0530 -18.6968
BOND 29
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 3 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 4 10 1
12 7 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 8 14 1
17 2 15 1
18 11 15 1
19 9 16 1 #Up
20 1 17 1
21 17 18 1
22 12 19 1
23 19 20 1
24 20 21 1
25 20 22 2
26 7 23 1 #Up
27 16 24 1
28 24 23 1
29 16 25 1
|
|---|
