BIAdb Migraleve 2692

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BIAdb Migraleve 2692
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	23690943
Chemical data
Formula	C74H105Cl3N4NaO16PS
Mol. mass	1499.030231
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

1499.030231

*Exact Mass

1496.594718

*Molecular Formula

C₇₄H₁₀₅Cl₃N₄NaO₁₆PS

*IUPAC NAME

N/A

*Canonical Smiles

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].CC(=O)NC1=CC=C(C=C1)O.CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.OP(=O)(O)O.[Na+].Cl.Cl

*Isomeric Smiles

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].CC(=O)NC1=CC=C(C=C1)O.CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.OP(=O)(O)O.[Na+].Cl.Cl

*XLogP

N/A

*Hydrogen bond donor

8

*Hydrogen bond acceptor

19

*Rotational Bond Count

26

*Topological Polar Surface Area

285

[edit] External Links

• Pubchem

Link to BIAdb Database