BIAdb Codeine,phosphate,sesquihydrate 1839

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BIAdb Codeine,phosphate,sesquihydrate 1839
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	5492885
Chemical data
Formula	C36H54N2O17P2
Mol. mass	848.764682
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

848.764682

*Exact Mass

848.289771

*Molecular Formula

C₃₆H₅₄N₂O₁₇P₂

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.O.O.O.OP(=O)(O)O.OP(=O)(O)O

*Isomeric Smiles

CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.O.O.O.OP(=O)(O)O.OP(=O)(O)O

*XLogP

N/A

*Hydrogen bond donor

11

*Hydrogen bond acceptor

19

*Rotational Bond Count

2

*Topological Polar Surface Area

242

[edit] External Links

• Pubchem

Link to BIAdb Database