D number D00713
Classification Drug
Name Thiamylal sodium (JP17);
Surital (TN)
Formula C12H17N2O2S. Na
Exact mass 276.0908
Mol weight 276.3303
Structural Formula http://dbarchive.biosciencedbc.jp/archive/kegg_medicus/LATEST/drug/gif/D00713.gif
Sequence -
Sequence type -
Source -
Efficacy Anesthetic (intravenous)
Interaction -
KCF data ATOM 18
1 C1z C 26.1276 -18.6319
2 C5x C 26.1276 -20.0395
3 C5x C 24.9186 -17.9370
4 C1c C 27.5235 -18.6319
5 C1b C 26.1218 -17.2361
6 N1x N 24.9186 -20.7461
7 O5x O 27.3308 -20.7461
8 N2x N 23.6980 -18.6319
9 O5x O 24.9012 -16.5295
10 C1b C 28.2127 -17.4172
11 C1a C 28.4987 -19.6306
12 C2b C 27.3308 -16.5353
13 C2y C 23.6980 -20.0395
14 C1b C 29.6084 -17.4172
15 C2a C 27.3308 -15.1395
16 S1a S 22.4775 -20.7344 #-
17 C1a C 30.3034 -16.2082
18 Z Na 20.0940 -20.8783 #+

BOND 17
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 2
7 3 8 1
8 3 9 2
9 4 10 1
10 4 11 1
11 5 12 1
12 6 13 1
13 10 14 1
14 12 15 2
15 13 16 1
16 14 17 1
17 8 13 2