BUTORPHANOL TARTRATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 2L7I72RUHN
Parent Compound: BUTORPHANOL

Structure

InChI Key GMTYREVWZXJPLF-SXWPHCFWSA-N
Smiles O=C(O)C(O)C(O)C(=O)O.Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3
InChI
InChI=1S/C21H29NO2.C4H6O6/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;5-1(3(7)8)2(6)4(9)10/h6-7,13,15,19,23-24H,1-5,8-12,14H2;1-2,5-6H,(H,7,8)(H,9,10)/t19-,20+,21-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H35NO8
Molecular Weight 477.55
AlogP 3.37
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 43.7
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Kappa opioid receptor partial agonist PARTIAL AGONIST DailyMed

Target Conservation

Protein: Mu opioid receptor
Description: Mu-type opioid receptor
Organism : Homo sapiens
P35372 ENSG00000112038
Protein: Kappa opioid receptor
Description: Kappa-type opioid receptor
Organism : Homo sapiens
P41145 ENSG00000082556

Cross References

Resources Reference
ChEBI 3242
ChEMBL CHEMBL299400
FDA SRS 2L7I72RUHN
KEGG C06863
PubChem 5464090
SureChEMBL SCHEMBL443889
ZINC ZINC03812988
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