Compound Summary
Compound Information
NALBUPHINE HYDROCHLORIDE
Compound Name: | NALBUPHINE HYDROCHLORIDE |
Compound CID: | 5360733 |
Synonyms: | NALBUPHINE HYDROCHLORIDE 23277-43-2 Nubain Nalbuphine HCL Nalbuphine hydrochloride USAN More... |
Iupac Name: | (4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol;hydrochloride |
InChI: | InChI=1S/C21H27NO4.ClH/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12;/h4-5,12,15-16,19,23-25H,1-3,6-11H2;1H/t15-,16+,19-,20-,21+;/m0./s1 |
InChIKey: | YZLZPSJXMWGIFH-BCXQGASESA-N |
Canonical Smiles: | C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O.Cl |
Isomeric Smiles: | C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O.Cl |
Molecular Weight: | 393.9 |
Molecular Formula: | C21H28ClNO4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
NALBUPHINE HYDROCHLORIDE
Molecular Weight: | 393.9 |
Molecular Formula: | C21H28ClNO4 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 27 |
Complexity: | 597 |
Synonyms
NALBUPHINE HYDROCHLORIDE
| NALBUPHINE HYDROCHLORIDE | NALBUPHINE HYDROCHLORIDE |
|---|---|
NALBUPHINE HYDROCHLORIDE |
23277-43-2 |
Nubain |
Nalbuphine HCL |
Nalbuphine hydrochloride USAN |
UNII-ZU4275277R |
EN-2234A |
ZU4275277R |
(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro3,2-eisoquinoline-4a,7,9-triol;hydrochloride |
Nalbuphine hydrochloride (USAN) |
CHEBI:7455 |
Nalbuphine hydrochloride hydrate |
Nalbufina clorhidrato Spanish |
En 2234A |
EINECS 245-549-9 |
NALBUPHINEHYDROCHLORIDE |
Prestwick_344 |
Nubain (TN) |
59052-16-3 |
17-(Cyclobutylmethyl)-4,5alpha-epoxymorphinan-3,6alpha,14-triol hydrochloride |
(5alpha,6alpha)-17-(Cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride |
C21H32ClNO6 |
Morphinan-3,6,14-triol, 17-(cyclobutylmethyl)-4,5-epoxy-, hydrochloride, (5-alpha,6-alpha)- |
SCHEMBL41123 |
MLS002154202 |
CHEMBL1201132 |
DTXSID20177844 |
HMS1568G18 |
CCG-220118 |
NSC 757829 |
PW-4142 |
Morphinan-3,6,14-triol, 17-(cyclobutylmethyl)-4,5-epoxy-, hydrochloride, (5alpha,6alpha)- |
Morphinan-3,6-alpha,14-triol, 17-(cyclobutylmethyl)-4,5-alpha-epoxy-, hydrochloride |
BN161328 |
SMR001233488 |
V1613 |
D00843 |
Q27107499 |
(-)-17-(cyclobutylmethyl)- 4,5a-epoxymorphinan- 3,6a,14-triol Hydrochloride |
17-(Cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride hydrate |
Nalbuphine hydrochloride solution, 1.0 mg/mL in methanol (as free base), ampule of 1 mL, certified reference material |
Experimental Data
NALBUPHINE HYDROCHLORIDE
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 0 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
NALBUPHINE HYDROCHLORIDE
Statistics Data
NALBUPHINE HYDROCHLORIDE
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0 | 1 | 1 |
Statistics Data Visualization
NALBUPHINE HYDROCHLORIDE
