BIAdb Menisperine 2675

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BIAdb Menisperine 2675
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	30357
Chemical data
Formula	C₂₁H₂₆ClNO₄
Mol. mass	391.88844
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Huangbai-Zhimu herb-pair (HBZMHP)

Toxic

*Molecular Weight

391.88844

*Exact Mass

391.155036

*Molecular Formula

C₂₁H₂₆ClNO₄

*IUPAC NAME

N/A

*Canonical Smiles

C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC)C.[Cl-]

*Isomeric Smiles

N/A

*XLogP

N/A

*Hydrogen bond donor

1

*Hydrogen bond acceptor

5

*Rotational Bond Count

3

*Topological Polar Surface Area

47.9