BIAdb Codeine sulphate 1843

BIAdb Codeine sulphate 1843
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	5359613
Chemical data
Formula	C₃₆H₄₄N₂O₁₀S
Mol. mass	696.80696
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

696.80696

*Exact Mass

696.271666

*Molecular Formula

C₃₆H₄₄N₂O₁₀S

*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.OS(=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.OS(=O)(=O)O

*XLogP

N/A

*Hydrogen bond donor

4

*Hydrogen bond acceptor

12

*Rotational Bond Count

2

*Topological Polar Surface Area

159