Cas no 20594-83-6 (Morphinan-3,6,14-triol,17-(cyclobutylmethyl)- 4,5-epoxy-,(5R,6R)-)
20594-83-6 structure
Product Name:Morphinan-3,6,14-triol,17-(cyclobutylmethyl)- 4,5-epoxy-,(5R,6R)-
CAS No:20594-83-6
MF:C21H27NO4
MW:357.443386316299
MDL:MFCD00864358
CID:282644
PubChem ID:5311304
Update Time:2025-04-19
Morphinan-3,6,14-triol,17-(cyclobutylmethyl)- 4,5-epoxy-,(5R,6R)- Chemical and Physical Properties
Names and Identifiers
-
- Morphinan-3,6,14-triol,17-(cyclobutylmethyl)- 4,5-epoxy-,(5R,6R)-
- (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
- Nalbuphine
- (+)-nalbuphine
- CHEBI:7454
- Intapan (TN)
- Nalbufina
- Nalbuphine (INN)
- Nalbuphinum
- Nubain
- Prestwick0_000118
- Prestwick1_000118
- Intapan
- L2T84IQI2K
- Prestwick2_000118
- BPBio1_000150
- HMS2089I04
- SCHEMBL3766
- NALBUPHINE [MI]
- NETZHAKZCGBWSS-CEDHKZHLSA-N
- En 2234A
- SPBio_002075
- (5alpha,6alpha)-17-(cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol
- NALBUPHINE [INN]
- D08246
- C07251
- Nalbufina [DCIT]
- 17-(Cyclobutylmethyl)-4,5alpha-epoxymorphinan-3,6alpha,14-triol
- DTXSID8023345
- DTXCID103345
- 17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alpha,14-triol
- Nalbuphine [INN:BAN]
- 17-(CYCLOBUTYLMETHYL)-4,5.ALPHA.-EPOXYMORPHINAN-3,6.ALPHA.,14-TRIOL
- BDBM50105085
- (1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-triene-10,14,17-triol
- Nalbuphinum [INN-Latin]
- Nalbuphin
- NCGC00179652-04
- BSPBio_000136
- Prestwick3_000118
- (1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-triene-10,14,17-triol
- BRD-K66404838-003-03-8
- (-)-17-(cyclobutylmethyl)-4,5alpha-epoxymorphinan-3,6alpha,14-triol
- NCGC00179652-02
- Nalbuphinum (INN-Latin)
- DB00844
- GTPL1663
- 20594-83-6
- BIDD:GT0060
- Morphinan-3,6,14-triol, 17-(cyclobutylmethyl)-4,5-epoxy-
- EINECS 243-901-6
- UNII-L2T84IQI2K
- NALBUPHINE [VANDF]
- CAS-20594-83-6
- NS00008318
- Morphinan-3,6,14-triol, 17-(cyclobutylmethyl)-4,5-epoxy-, (5alpha,6alpha)-
- N-Cyclobutylmethyl-4,5alpha-epoxy-3,6alpha,14-morphinantriol
- CHEMBL895
- NCGC00162275-02
- Q277979
- NALBUPHINE [WHO-DD]
- EN300-19631168
- Tox21_112008
-
- MDL: MFCD00864358
- Inchi: 1S/C21H27NO4/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/t15-,16+,19-,20-,21+/m0/s1
- InChI Key: NETZHAKZCGBWSS-CEDHKZHLSA-N
- SMILES: O1C2=C(C=CC3C[C@@H]4[C@@]5(CC[C@@H]([C@H]1[C@@]5(C=32)CCN4CC1CCC1)O)O)O
Computed Properties
- Exact Mass: 357.19411
- Monoisotopic Mass: 357.19400834g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 2
- Complexity: 597
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 73.2?2
Experimental Properties
- Melting Point: 230.5°
- PSA: 73.16
- LogP: 1.4
Morphinan-3,6,14-triol,17-(cyclobutylmethyl)- 4,5-epoxy-,(5R,6R)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Biosynth | VAA59483-1 mg |
Nalbuphine |
20594-83-6 | 1mg |
$150.00 | 2022-12-28 | ||
| Biosynth | VAA59483-5 mg |
Nalbuphine |
20594-83-6 | 5mg |
$487.50 | 2022-12-28 | ||
| Biosynth | VAA59483-10 mg |
Nalbuphine |
20594-83-6 | 10mg |
$780.00 | 2022-12-28 | ||
| Biosynth | VAA59483-25 mg |
Nalbuphine |
20594-83-6 | 25mg |
$1,462.50 | 2022-12-28 | ||
| Biosynth | VAA59483-50 mg |
Nalbuphine |
20594-83-6 | 50mg |
$2,340.00 | 2022-12-28 | ||
| Enamine | EN300-19631168-0.05g |
20594-83-6 | 0.05g |
$2755.0 | 2023-09-17 |
Morphinan-3,6,14-triol,17-(cyclobutylmethyl)- 4,5-epoxy-,(5R,6R)- Related Literature
-
Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
4. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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