BIAdb Dihydrotoxiferin 2038
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Dihydrotoxiferin 2038
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C40H46N4+2 |
| Mol. mass | 582.82004 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Neuromuscular blocking agent
[edit] General Properties
*Molecular Weight
582.82004
*Exact Mass
582.372247
*Molecular Formula
C40H46N4+2
*IUPAC NAME
N/A
*Canonical Smiles
CC=C1C[N+]2(CCC34C2CC1C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CC)C)C1=CC=CC=C16)C
*Isomeric Smiles
C/C=C1/C2/C/3=C/N4C5=CC=CC=C5C67C4/C(=CN8C3C9(C3=CC=CC=C83)C(C2)[N+](C1)(CC9)C)/C1/C(=C/C)/C[N+](C6C1)(CC7)C
*XLogP
4.3
*Hydrogen bond donor
0
*Hydrogen bond acceptor
2
*Rotational Bond Count
0
*Topological Polar Surface Area
6.5
