BIAdb Opium 2864

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Revision as of 00:00, 15 January 2001

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BIAdb Opium 2864
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	24840907
Chemical data
Formula	C55H62ClN3O10
Mol. mass	960.54788
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

Description

Source

Papaver somniferum

Function

Analgesic

General Properties

*Molecular Weight

960.54788

*Exact Mass

959.412373

*Molecular Formula

C₅₅H₆₂ClN₃O₁₀

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl

*Isomeric Smiles

CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)OC3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)OC3[C@H](C=C4)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl

*XLogP

N/A

*Hydrogen bond donor

4

*Hydrogen bond acceptor

13

*Rotational Bond Count

7

*Topological Polar Surface Area

145

External Links

• Pubchem

Link to BIAdb Database