Calebassine

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Calebassine
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	6433496
Chemical data
Formula	C₄₀H₄₈N₄O₂+₂
Mol. mass	616.83472
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

*Molecular Weight

616.83472

*Molecular Formula

C₄₀H₄₈N₄O₂+₂

*IUPAC NAME

N/A

*Canonical Smiles

CC=C1C[N+]2(CCC34C2CC1C5C3(N(C6C5N7C8=CC=CC=C8C91C7(C6C2CC9[N+](CC1)(CC2=CC)C)O)C1=CC=CC=C41)O)C

*Isomeric Smiles

CC=C/1C[N+]2(CCC34C2CC1C5C3(N(C6C5N7C8=CC=CC=C8C91C7(C6C2CC9[N+](CC1)(C/C2=C/C)C)O)C1=CC=CC=C41)O)C

*XLogP

N/A

*Topological Polar Surface Area

46.9

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	[http://crdd.osdd.net/raghava/biadb/detail.php?id=2010 Link to BIAdb Database]		[http://crdd.osdd.net/raghava/biadb/detail.php?id=2010 Link to BIAdb Database]
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