BIAdb DNPM 2054

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BIAdb DNPM 2054
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	5745390
Chemical data
Formula	C₂₃H₂₁N₃O₇
Mol. mass	451.42874
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

451.42874

*Exact Mass

451.13795

*Molecular Formula

C₂₃H₂₁N₃O₇

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC23C4C1CC5=C2C(=C(C=C5)OC6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-])OC3C(C=C4)O

*Isomeric Smiles

CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-])O[C@H]3[C@H](C=C4)O

*XLogP

2.4

*Hydrogen bond donor

1

*Hydrogen bond acceptor

8

*Rotational Bond Count

2

*Topological Polar Surface Area

128