BIAdb Aspirin 1240

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BIAdb Aspirin 1240
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	24847962
Chemical data
Formula	C46H58N7O16P
Mol. mass	995.963781
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

[edit] Description

[edit] Source

N/A

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

995.963781

*Exact Mass

995.367765

*Molecular Formula

C₄₆H₅₈N₇O₁₆P

*IUPAC NAME

N/A

*Canonical Smiles

CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C.CC(=O)OC1=CC=CC=C1C(=O)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.OP(=O)(O)O

*Isomeric Smiles

CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C.CC(=O)OC1=CC=CC=C1C(=O)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.OP(=O)(O)O

*XLogP

N/A

*Hydrogen bond donor

7

*Hydrogen bond acceptor

18

*Rotational Bond Count

8

*Topological Polar Surface Area

317

[edit] External Links

• Pubchem

Link to BIAdb Database