BIAdb C-Curarine 1694
From DrugPedia: A Wikipedia for Drug discovery
(Difference between revisions)
m (1 revision) |
(→External Links) |
||
| Line 84: | Line 84: | ||
[http://crdd.osdd.net/raghava/biadb/detail.php?id=1694 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1694 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb C-Curarine 1694
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C40H44N4O+2 |
| Mol. mass | 596.80356 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
Strychnos solimoensana
[edit] Function
Toxic
[edit] General Properties
*Molecular Weight
596.80356
*Exact Mass
596.351512
*Molecular Formula
C40H44N4O+2
*IUPAC NAME
N/A
*Canonical Smiles
CC=C1C[N+]2(CCC34C2CC1C5=CN6C7=CC=CC=C7C89C61C(=CN(C53O1)C1=CC=CC=C41)C1CC8[N+](CC9)(CC1=CC)C)C
*Isomeric Smiles
C/C=C/1[C@H]2C3=CN4[C@@]56O[C@]37N(C8=CC=CC=C8[C@]79[C@H](C2)[N@+](C1)(CC9)C)C=C5[C@@H]1/C(=CC)/C[N@+]2([C@H]([C@]6(C3=CC=CC=C43)CC2)C1)C
*XLogP
3.7
*Hydrogen bond donor
0
*Hydrogen bond acceptor
3
*Rotational Bond Count
0
*Topological Polar Surface Area
15.7
