nalorphine   Click here for help

GtoPdb Ligand ID: 1629

Synonyms: N-allyl-normorphine
Approved drug
nalorphine is an approved drug
Compound class: Synthetic organic
Comment: This drug does not have marketing approval in the US or European Union. Other national approval agencies may have granted marketing authorisation. In some countries nalorphine may only be used in veterinary practice.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 52.93
Molecular weight 311.15
XLogP 1.1
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES C=CCN1CCC23C4C1Cc1c3c(OC2C(C=C4)O)c(cc1)O
Isomeric SMILES C=CCN1CC[C@@]23[C@@H]4[C@H]1Cc1c3c(O[C@H]2[C@H](C=C4)O)c(cc1)O
InChI InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1
InChI Key UIQMVEYFGZJHCZ-SSTWWWIQSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
(1S,5R,13R,14S,17R)-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraene-10,14-diol
International Nonproprietary Names Click here for help
INN number INN
30 nalorphine
Synonyms Click here for help
N-allyl-normorphine
Database Links Click here for help
ChEMBL Ligand CHEMBL415284
DrugCentral Ligand 1877
GtoPdb PubChem SID 135650682
PubChem CID 5284595
Search Google for chemical match using the InChIKey UIQMVEYFGZJHCZ-SSTWWWIQSA-N
Search Google for chemicals with the same backbone UIQMVEYFGZJHCZ
Search PubMed clinical trials nalorphine
Search PubMed titles nalorphine
Search PubMed titles/abstracts nalorphine
Search UniChem for chemical match using the InChIKey UIQMVEYFGZJHCZ-SSTWWWIQSA-N
Search UniChem for chemicals with the same backbone UIQMVEYFGZJHCZ
Wikipedia Nalorphine