BIAdb Tetrandrine and Phthivazid 3379
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Tetrandrine and Phthivazid 3379
| |
| Systematic (IUPAC) name | |
| N/A | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C52H55N5O9 |
| Mol. mass | 894.0212 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
894.0212
*Exact Mass
893.399978
*Molecular Formula
C52H55N5O9
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC.COC1=CC(=CNNC(=O)C2=CC=NC=C2)C=CC1=O
*Isomeric Smiles
CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC.COC1=C/C(=C/NNC(=O)C2=CC=NC=C2)/C=CC1=O
*XLogP
N/A
*Hydrogen bond donor
2
*Hydrogen bond acceptor
13
*Rotational Bond Count
8
*Topological Polar Surface Area
142
