BUTORPHANOL TARTRATE

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Trade Names:
Synonyms:
Status: Approved (1978)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 2L7I72RUHN
Parent Compound: BUTORPHANOL

Structure
InChI Key GMTYREVWZXJPLF-SXWPHCFWSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
17.81
General disorders and administration site conditions
17.35
Product issues
13.93
Nervous system disorders
9.59
Psychiatric disorders
7.31
Injury, poisoning and procedural complications
7.08
Gastrointestinal disorders
6.16
Respiratory, thoracic and mediastinal disorders
5.25
Vascular disorders
4.34
Skin and subcutaneous tissue disorders
3.88
Cardiac disorders
2.51

Cross References

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