BIAdb CID6420667 1782

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BIAdb CID6420667 1782
Systematic (IUPAC) name
2,2,5,5-tetramethyl-1-oxo-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)pyrrolidin-1-ium-3-carboxamide
Identifiers
CAS number	?
ATC code	?
PubChem	6420667
Chemical data
Formula	C₂₉H₃₇N₂O₇+
Mol. mass	525.61328
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Description

N/A

Unknown

*Molecular Weight

525.61328

*Exact Mass

525.260077

*Molecular Formula

C₂₉H₃₇N₂O₇+

*IUPAC NAME

2,2,5,5-tetramethyl-1-oxo-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)pyrrolidin-1-ium-3-carboxamide

*Canonical Smiles

CC1(CC(C([N+]1=O)(C)C)C(=O)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)OC)OC)OC)OC)C

*Isomeric Smiles

N/A

*XLogP

1.5

*Hydrogen bond donor

1

*Hydrogen bond acceptor

7

*Rotational Bond Count

6

*Topological Polar Surface Area

103