Basic information
- CAS
15686-97-2- Standard SMILES
CC(=O)OC(Cc1ccccc1)(c1ccccc1)C(C)CN1CCCC1- InChIKey
XPSOFSIDLMRECY-UHFFFAOYSA-N- Molecular formula
- C23H29NO2
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.21982917
Names & identifiers
- Preferred name
- Pyrrolifene
- IUPAC
- (3-methyl-1,2-diphenyl-4-pyrrolidin-1-ylbutan-2-yl) acetate
- English name
- Pyrrolifene
- Molecular formula
- C23H29NO2
- Molecular weight
- 351.48
Names & synonyms
PyrrolifenePyrroliphene15686-97-2Pyrrolifene [INN]pirrolifenoUNII-T5Q0WA2589T5Q0WA25891-Pyrrolidinepropanol, .beta.-methyl-.alpha.-phenyl-.alpha.-(phenylmethyl)-, acetate (ester)pyrrolifenumRefChem:1779281-PYRROLIDINEPROPANOL, BETA-METHYL-ALPHA-PHENYL-ALPHA-(PHENYLMETHYL)-, ACETATE (ESTER)XPSOFSIDLMRECY-UHFFFAOYSA-N
Show more names
1-Pyrrolidinepropanol, β-methyl-α-phenyl-α-(phenylmethyl)-, 1-acetateAcetic acid 1-benzyl-2-methyl-1-phenyl-3-(1-pyrrolidinyl)propyl ester
(3-methyl-1,2-diphenyl-4-pyrrolidin-1-ylbutan-2-yl) acetate(+)-.alpha.-Benzyl-.beta.-methyl-.alpha.-phenyl-1-pyrrolidinepropanol acetate (ester)SCHEMBL489016orb1708775CHEMBL2110705DTXSID40935549HY-U00081AKOS040735905
Database identifiers
- CAS
15686-97-2- PubChem CID
- 21797
- DTXSID
DTXSID40935549- ChEMBL
CHEMBL2110705- UNII
- T5Q0WA2589
- Nikkaji
- J9.000J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 433
Physicochemical properties
- Boiling point
- 476.7 · 476.7±45.0 °C(Predicted)
- Density
- 1.078 · 1.078±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 10.11 · 10.11±0.20(Predicted)
- FDA UNII
- 5 Q0WA2589 · T5Q0WA2589
Chemistry & industry
Applications
UsesAnalgesic.
Suppliers6 total
MedChemexpress LLC021-58955995 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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