Propoxyphene napsylate anhydrous
Basic information
- CAS
17140-78-2- Standard SMILES
CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C.O=S(=O)(O)c1ccc2ccccc2c1- InChIKey
VZPXFHVJUUSVLH-MYXGOWFTSA-N- Molecular formula
- C32H37NO5S
- Average molar mass
- 547.7 g/mol
- Monoisotopic mass
- 547.23924445
Overview
Propoxyphene Napsylate is a synthetic diphenyl propionate derivative structurally related to methadone, Propoxyphene Napsylate acts as a central narcotic and analgesic agent by interaction with mu opioid receptors, but with less selectivity then morphine. The dextro-isomer has analgesic effect, while the levo-isomer exerts an antitussive effect. The napsylate salt allows better dosage formulation than the hydrochloride salt. (NCI04)
Names & identifiers
- Preferred name
- Propoxyphene napsylate anhydrous
- IUPAC
- [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;naphthalene-2-sulfonic acid
- English name
- Propoxyphene napsylate
- Molecular formula
- C32H37NO5S
- Molecular weight
- 547.7
Names & synonyms
Propoxyphene napsylate anhydrous5O7IW35N3CRefChem:1097018Propoxyphene napsylate17140-78-2Dextropropoxyphene NapsylateDarvon N[(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;naphthalene-2-sulfonic acidPropoxyphene-N(+)- Propoxyphene napsylatePropoxyphene 2-naphthalenesulfonateEINECS 241-205-7
Show more names
Propoxyphen napsylatenaphthalene-2-sulphonic acid, compound with [S-(R*,S*)]-1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propionate (1:1)
UNII-5O7IW35N3CDTXSID809379862-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate, 2-naphthalenesulfonateSCHEMBL9297768PROPOXYPHENE NAPSYLATE, ANHYDROUSBenzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, propanoate (ester), (1S,2R)-, 2-naphthalenesulfonate (salt)Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, propanoate (ester), (S-(R*,S*))-, 2-naphthalenesulfonate (salt)Naphthalene-2-sulphonic acid, compound with (S-(R*,S*))-1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propionate (1:1)
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 688
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- Density
- 1.0869 · 1.0869 (rough estimate)
- refractive index
- 1.655 · 1.6550 (estimate)
- Water Solubility
- 1.4 g/L · 1.4g/L(22 ºC)
- FDA UNII
- 5 O7IW35N3C · 5O7IW35N3C
- RIDADR
- 3249 · 3249
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationDextropropoxyphene napsylate: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- ridadr
- 3249
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Applications
UsesAnalgesic.
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Related reactions
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Compound notes
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