BIAdb C-Toxiferine 1 1962

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BIAdb C-Toxiferine 1 1962
Systematic (IUPAC) name
N/A
Identifiers
CAS number  ?
ATC code  ?
PubChem 6450211
Chemical data
Formula C40H46ClN4O2+
Mol. mass 650.27184
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

650.27184

*Exact Mass

649.330929

*Molecular Formula

C40H46ClN4O2+

*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-]

*Isomeric Smiles

C[N+]12CC[C@@]34[C@@H]1C[C@@H](/C(=C/CO)/C2)/C/5=C/N6[C@H]7/C(=CN([C@@H]53)C8=CC=CC=C48)/[C@H]9C[C@H]1[C@@]7(CC[N+]1(C/C9=C/CO)C)C1=CC=CC=C16.[Cl-]

*XLogP

N/A

*Hydrogen bond donor

2

*Hydrogen bond acceptor

5

*Rotational Bond Count

2

*Topological Polar Surface Area

46.9

[edit] External Links

Link to BIAdb Database

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