| Entry |
|
|---|
| Name |
Carbamazepine-10,11-epoxide;
Carbamazepine epoxide
|
|---|
| Formula |
C15H12N2O2
|
|---|
| Exact mass |
252.0899
|
|---|
| Mol weight |
252.27
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00982 | Drug metabolism - cytochrome P450 |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 19
1 C8y C 24.2756 -14.8454
2 N1y N 25.5332 -14.2175
3 C8y C 26.8009 -14.8159
4 C8y C 27.1197 -16.1901
5 C8y C 23.9726 -16.2477
6 C1y C 26.2597 -17.3944
7 C1y C 24.8572 -17.3460
8 C8x C 28.4590 -16.5980
9 C8x C 29.4818 -15.6421
10 C8x C 29.1630 -14.2679
11 C8x C 27.8238 -13.8600
12 C8x C 23.2384 -13.9051
13 C8x C 21.9054 -14.3333
14 C8x C 21.6024 -15.7356
15 C8x C 22.6397 -16.6758
16 O2x O 25.5572 -18.5584
17 C5a C 25.5332 -12.8175
18 O5a O 26.7615 -12.1083
19 N1a N 24.3302 -12.1228
BOND 22
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 4 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 3 11 2
13 1 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 5 15 2
18 7 16 1
19 6 16 1
20 2 17 1
21 17 18 2
22 17 19 1
|
|---|
