Gene Set: D4 : CTD - Atracurium
| Collection |
D4 : CTD |
| Chemical Name |
Atracurium ( From PubChem : A T R A C U R I U M ) |
| FDA |
NPC |
WHO |
Indian |
Australia |
China |
Traditional
Herbal |
Clinical
Trail |
| Approved | Not | Approved | Approved | Not | Approved | Not | Not |
|
Molecular
Weight |
Hydrogen Bond
Donor Count |
Hydrogen Bond
Acceptor Count |
cLogP |
Lipinski Rule |
| 929.145 g/mol |
0 |
12 |
7.9831 |
False(1/4) |
|
| Structure |
|
| InChI |
I n C h I = 1 S / C 5 3 H 7 2 N 2 O 1 2 / c 1 - 5 4 ( 2 2 - 1 8 - 3 8 - 3 2 - 4 8 ( 6 2 - 7 ) 5 0 ( 6 4 - 9 ) 3 4 - 4 0 ( 3 8 ) 4 2 ( 5 4 ) 2 8 - 3 6 - 1 4 - 1 6 - 4 4 ( 5 8 - 3 ) 4 6 ( 3 0 - 3 6 ) 6 0 - 5 ) 2 4 - 2 0 - 5 2 ( 5 6 ) 6 6 - 2 6 - 1 2 - 1 1 - 1 3 - 2 7 - 6 7 - 5 3 ( 5 7 ) 2 1 - 2 5 - 5 5 ( 2 ) 2 3 - 1 9 - 3 9 - 3 3 - 4 9 ( 6 3 - 8 ) 5 1 ( 6 5 - 1 0 ) 3 5 - 4 1 ( 3 9 ) 4 3 ( 5 5 ) 2 9 - 3 7 - 1 5 - 1 7 - 4 5 ( 5 9 - 4 ) 4 7 ( 3 1 - 3 7 ) 6 1 - 6 / h 1 4 - 1 7 , 3 0 - 3 5 , 4 2 - 4 3 H , 1 1 - 1 3 , 1 8 - 2 9 H 2 , 1 - 1 0 H 3 / q + 2 |
| InChIKey |
Y X S L J K Q T I D H P O T - U H F F F A O Y S A - N
|
| Links |
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Gene
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15)
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