BIAdb CID6330029 1775

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BIAdb CID6330029 1775
Systematic (IUPAC) name
(7-acetamido-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[j]heptalen-11-yl)methyl2,2,5,5-tetramethyl-1-oxopyrrolidin-1-ium-3-carboxylate
Identifiers
CAS number	?
ATC code	?
PubChem	6330029
Chemical data
Formula	C₃₂H₄₁N₂O₉+
Mol. mass	597.67594
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

597.67594

*Exact Mass

597.281206

*Molecular Formula

C₃₂H₄₁N₂O₉+

*IUPAC NAME

(7-acetamido-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[j]heptalen-11-yl)methyl2,2,5,5-tetramethyl-1-oxopyrrolidin-1-ium-3-carboxylate

*Canonical Smiles

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC(=C(C(=O)C=C13)OC)COC(=O)C4CC([N+](=O)C4(C)C)(C)C)OC)OC)OC

*Isomeric Smiles

N/A

*XLogP

0.7

*Hydrogen bond donor

1

*Hydrogen bond acceptor

9

*Rotational Bond Count

9

*Topological Polar Surface Area

130