BIAdb Calebassine 1677
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Calebassine 1677
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C40H48N4O2+2 |
| Mol. mass | 616.83472 |
| 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
616.83472
*Exact Mass
616.377727
*Molecular Formula
C40H48N4O2+2
*IUPAC NAME
N/A
*Canonical Smiles
CC=C1C[N+]2(CCC34C2CC1C5C3(N(C6C5N7C8=CC=CC=C8C91C7(C6C2CC9[N+](CC1)(CC2=CC)C)O)C1=CC=CC=C41)O)C
*Isomeric Smiles
C/C=C/1C2C3C4(N(C5=CC=CC=C5C46C(C2)[N+](C1)(CC6)C)C7C3N8C9(C7C1/C(=CC)/C[N+]2(C(C9(C3=CC=CC=C83)CC2)C1)C)O)O
*XLogP
3.7
*Hydrogen bond donor
2
*Hydrogen bond acceptor
4
*Rotational Bond Count
0
*Topological Polar Surface Area
46.9
