BIAdb Thebaine hydrochloride 3423

Revision as of 06:38, 16 December 2009 by Neetikagambhir (Talk | contribs)

(diff) ←Older revision | Current revision (diff) | Newer revision→ (diff)

BIAdb Thebaine hydrochloride 3423
Systematic (IUPAC) name
N/A
Identifiers
CAS number	?
ATC code	?
PubChem	5492618
Chemical data
Formula	C₁₉H₂₂ClNO₃
Mol. mass	347.83588
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

347.83588

*Exact Mass

347.128821

*Molecular Formula

C₁₉H₂₂ClNO₃

*IUPAC NAME

N/A

*Canonical Smiles

CN1CCC23C4C(=CC=C2C1CC5=C3C(=C(C=C5)OC)O4)OC.Cl

*Isomeric Smiles

CN1CC[C@]23[C@@H]4C(=CC=C2[C@H]1CC5=C3C(=C(C=C5)OC)O4)OC.Cl

*XLogP

N/A

*Hydrogen bond donor

1

*Hydrogen bond acceptor

4

*Rotational Bond Count

2

*Topological Polar Surface Area

30.9