Basic information
- CAS
82824-01-9- Standard SMILES
C=CCN1CCC23c4c5ccc(O)c4OC2C(=NN=C2CCC4(O)C6Cc7ccc(O)c8c7C4(CCN6CC=C)C2O8)CCC3(O)C1C5- InChIKey
AJPSBXJNFJCCBI-UHFFFAOYSA-N- Molecular formula
- C38H42N4O6
- Average molar mass
- 650.8 g/mol
- Monoisotopic mass
- 650.31043507
Names & identifiers
- Preferred name
- 7-[(4a,9-Dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene)hydrazinylidene]-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
- IUPAC
- 7-[(4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene)hydrazinylidene]-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
- English name
- Naloxonazine dihydrochloride
- Molecular formula
- C38H42N4O6
- Molecular weight
- 650.76
Names & synonyms
7-[(4a,9-Dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene)hydrazinylidene]-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diolNSC612113CHEMBL1997856NCI60_004863naloxonazineNALOXONAZINE 2HCLNaloxonazine dihydrochlorideNALOXONAZINE DIHYDROCHLORIDE OPIOID ANTA GONIST6,6'-Azinobis[4,5α-epoxy-17-(2-propenyl)morphinan-3,14-diol]BIS-[5-ALPHA-4,5-EPOXY-3-14-DIHYDROXY-17-(2-PROPENYL)MORPHAN-6-YLIDENE]HYDRAZINE 2HCLBis-[5-α-4,5-Epoxy-3,14-dihydroxy-17-(2-propenyl)-morphinan-6-ylidene]hydrazinedihydrochloridebis[(5α)-4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)morphinan-6-ylidene]hydrazone dihydrochloride
Show more names
BIS(5-ALPHA-4,5-EPOXY-3,14-DIHYDROXY-17-[2-PROPENYL]MORPHINAN-6-YLIDENE)HYDRAZONE DIHYDROCHLORIDEBIS-[5-ALPHA-4,5-EPOXY-3,14-DIHYDROXY-17-(2-PROPENYL)-MORPHINAN-6-YLIDENE] HYDRAZINE DIHYDROCHLORIDE
Database identifiers
- CAS
82824-01-9- PubChem CID
- 4424
- ChEMBL
CHEMBL1997856
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,350
Physicochemical properties
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 2 O: · H2O: >2 mg/mL
- form
- solid
- pka
- 8.92 · 8.92±0.40(Predicted)
- color
- off-white to light tan
- FDA UNII
- 5 W4K4S7Z · BW5W4K4S7Z
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesNaloxonazine Dihydrochloride is a selective μ1 antagonist.
Suppliers6 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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