BIAdb C-Toxiferine 1 1961

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BIAdb C-Toxiferine 1 1961
Systematic (IUPAC) name
N/A
Identifiers
CAS number  ?
ATC code  ?
PubChem 24847065
Chemical data
Formula C40H48Cl2N4O2+2
Mol. mass 687.74072
SMILES eMolecules & PubChem
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

687.74072

*Exact Mass

686.315432

*Molecular Formula

C40H48Cl2N4O2+2

*IUPAC NAME

N/A

*Canonical Smiles

C[N+]12CCC34C1CC(C(=CCO)C2)C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CCO)C)C1=CC=CC=C16.Cl.Cl

*Isomeric Smiles

C[N@@+]12[C@@H]3[C@]4(C5=CC=CC=C5N/6C4/C(=CN7C8/C(=C6)/[C@@H]9/C(=C/CO)/C[N@+]4([C@H]([C@]8(C5=CC=CC=C75)CC4)C9)C)/[C@@H](C3)/C(=C/CO)/C1)CC2.Cl.Cl

*XLogP

N/A

*Hydrogen bond donor

4

*Hydrogen bond acceptor

4

*Rotational Bond Count

2

*Topological Polar Surface Area

46.9

[edit] External Links

Link to BIAdb Database

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