butorphanol   Click here for help

GtoPdb Ligand ID: 7591

Synonyms: butorphanol tartrate | LEVO-BC-2627
Approved drug
butorphanol is an approved drug (FDA (1978))
Compound class: Synthetic organic
Comment: Our representation of this drug and that contained in the ChEMBL and PubChem links exactly matches the structure in the INN record for butorphanol. PubChem CID 6916249 shows a different stereoisomer.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 43.7
Molecular weight 327.22
XLogP 3.27
No. Lipinski's rules broken 0
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Canonical SMILES Oc1ccc2c(c1)C13CCCCC3(C(C2)N(CC1)CC1CCC1)O
Isomeric SMILES Oc1ccc2c(c1)[C@]13CCCC[C@]3([C@@H](C2)N(CC1)CC1CCC1)O
InChI InChI=1S/C21H29NO2/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15/h6-7,13,15,19,23-24H,1-5,8-12,14H2/t19-,20+,21-/m1/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1978))
International Nonproprietary Names Click here for help
INN number INN
3620 butorphanol
Synonyms Click here for help
butorphanol tartrate | LEVO-BC-2627
Database Links Click here for help
Specialist databases
GPCRdb Ligand butorphanol
Other databases
CAS Registry No. 42408-82-2
ChEMBL Ligand CHEMBL33986
DrugBank Ligand DB00611
DrugCentral Ligand 454
GtoPdb PubChem SID 223365926
PubChem CID 5361092
Search Google for chemical match using the InChIKey IFKLAQQSCNILHL-QHAWAJNXSA-N
Search Google for chemicals with the same backbone IFKLAQQSCNILHL
Search PubMed clinical trials butorphanol
Search PubMed titles butorphanol
Search PubMed titles/abstracts butorphanol
UniChem Compound Search for chemical match using the InChIKey IFKLAQQSCNILHL-QHAWAJNXSA-N
UniChem Connectivity Search for chemical match using the InChIKey IFKLAQQSCNILHL-QHAWAJNXSA-N
Wikipedia Butorphanol