BIAdb CID630456 1771

BIAdb CID630456 1771
Systematic (IUPAC) name
[6-acetyloxy-9-[2-[(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)carbamoyl]phenyl]-9H-xanthen-3-yl]acetate
Identifiers
CAS number	?
ATC code	?
PubChem	630456
Chemical data
Formula	C₄₄H₃₉NO₁₁
Mol. mass	757.78056
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

757.78056

*Exact Mass

757.252311

*Molecular Formula

C₄₄H₃₉NO₁₁

*IUPAC NAME

[6-acetyloxy-9-[2-[(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl)carbamoyl]phenyl]-9H-xanthen-3-yl]acetate

*Canonical Smiles

CC(=O)OC1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)OC(=O)C)C4=CC=CC=C4C(=O)NC5CCC6=CC(=C(C(=C6C7=CC=C(C(=O)C=C57)OC)OC)OC)OC

*Isomeric Smiles

N/A

*XLogP

5.2

*Hydrogen bond donor

1

*Hydrogen bond acceptor

11

*Rotational Bond Count

11

*Topological Polar Surface Area

145