BIAdb CID535601 1758

BIAdb CID535601 1758
Systematic (IUPAC) name
[2-oxo-2-[(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)amino]ethyl]3-(3,6-diacetyloxy-9H-xanthen-9-yl)benzoate
Identifiers
CAS number	?
ATC code	?
PubChem	535601
Chemical data
Formula	C₄₆H₄₁NO₁₃
Mol. mass	815.81664
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

815.81664

*Exact Mass

815.25779

*Molecular Formula

C₄₆H₄₁NO₁₃

*IUPAC NAME

[2-oxo-2-[(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)amino]ethyl]3-(3,6-diacetyloxy-9H-xanthen-9-yl)benzoate

*Canonical Smiles

CC(=O)OC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)OC(=O)C)C4=CC=CC(=C4)C(=O)OCC(=O)NC5CCC6=CC(=C(C(=C6C7=CC=C(C(=O)C=C57)OC)OC)OC)OC

*Isomeric Smiles

N/A

*XLogP

5.1

*Hydrogen bond donor

1

*Hydrogen bond acceptor

13

*Rotational Bond Count

14

*Topological Polar Surface Area

171