2-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate (ester), napsylate
Basic information
- CAS
26570-10-5- Standard SMILES
CCC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)CN(C)C.O=S(=O)(O)c1ccc2ccccc2c1- InChIKey
VZPXFHVJUUSVLH-UHFFFAOYSA-N- Molecular formula
- C32H37NO5S
- Average molar mass
- 547.7 g/mol
- Monoisotopic mass
- 547.23924445
Overview
2-naphthalenesulfonic acid propanoic acid [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester is a stilbenoid.
Names & identifiers
- Preferred name
- 2-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate (ester), napsylate
- IUPAC
- [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;naphthalene-2-sulfonic acid
Names & synonyms
RefChem:10625182-Butanol, 4-(dimethylamino)-3-methyl-1,2-diphenyl-, propionate (ester), napsylate72050-78-3[4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;naphthalene-2-sulfonic acid2-naphthalenesulfonic acid propanoic acid [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] esterPropoxyphene napsylateDextropropoxyphene NapsylateLevopropoxyphennapsilatPrestwick0_001054Prestwick1_001054Prestwick2_001054Prestwick3_001054
Show more names
BSPBio_001008SPBio_002934BPBio1_001110CHEMBL4303291CHEBI:94397HMS1571C10HMS2098C10HMS3715C10
Database identifiers
- CAS
26570-10-5- PubChem CID
- 64736
- ChEMBL
CHEMBL4303291- ChEBI
CHEBI:94397
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
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
Suppliers
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Related reactions
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Compound notes
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