BIAdb Merobustinine 2678

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BIAdb Merobustinine 2678
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	211119
Chemical data
Formula	C₂₁H₂₅NO₅
Mol. mass	371.4269
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*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