BIAdb Merobustinine 2678
From DrugPedia: A Wikipedia for Drug discovery
BIAdb Merobustinine 2678
| |
Systematic (IUPAC) name | |
N/A | |
Identifiers | |
CAS number | ? |
ATC code | ? |
PubChem | |
Chemical data | |
Formula | C21H25NO5 |
Mol. mass | 371.4269 |
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
371.4269
*Exact Mass
371.173273
*Molecular Formula
C21H25NO5
*IUPAC NAME
N/A
*Canonical Smiles
CN1CCC2=CC(=C(C3=C2C1CCC4=CC(=C(C(=C43)OC)O)OC)O)OC
*Isomeric Smiles
CN1CCC2=CC(=C(C3=C2[C@@H]1CCC4=CC(=C(C(=C43)OC)O)OC)O)OC
*XLogP
3
*Hydrogen bond donor
2
*Hydrogen bond acceptor
6
*Rotational Bond Count
3
*Topological Polar Surface Area
71.4