1-Methylpyrrolidin-3-yl cyclopentyl(hydroxy)phenylacetate

HCID 25727

Notes Reactions

Completing data — usually done within a minute

Substructure search Find similar structures

Basic information

CAS: 13118-11-1
Standard SMILES: CN1CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1
InChIKey: OVGMKPGXRHJNKJ-UHFFFAOYSA-N
Molecular formula: C18H25NO3
Average molar mass: 303.402 g/mol
Monoisotopic mass: 303.18344366

Names & identifiers

Preferred name: 1-Methylpyrrolidin-3-yl cyclopentyl(hydroxy)phenylacetate
IUPAC: 1-Methylpyrrolidin-3-yl cyclopentyl(hydroxy)phenylacetate
English name: 1-methylpyrrolidin-3-yl cyclopentylphenylglycolate
Molecular formula: C18H25NO3
Molecular weight: 303.4

Names & synonyms

Glycopyrrolate Related CoMpound BGlycopyrronium Bromide EP Impurity GGlycopyrrolate USP Related Compound BGlycopurrolate RC BGlycopyrrolate RelatedGlycopyrrolate USP RC BGlycopyrrolate Impurity BGlycopyrrolate Impurity 30Gluon Bromide EP Impurity GGlycopyrrolate EP Impurity G

Database identifiers

CAS: 13118-11-1
PubChem CID: 25727
DTXSID: DTXSID90927111
ChEMBL: CHEMBL2007691
UNII: 79E4GF757C
EC Number: 236-047-0
Nikkaji: J317.816A

Properties

Physicochemical properties

Boiling point: 434.6 · 434.6±45.0 °C(Predicted)
Density: 1.17 · 1.17±0.1 g/cm3 (20 ºC 760 Torr)
refractive index: 1.5256 · 1.5256 (589.3 nm 23℃)
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form: Oil
pka: 12.19 · 12.19±0.29(Predicted)
color: Colourless to Very Dark Orange
Major Application: pharmaceutical
InChI: InChI=1S/C18H25NO3/c1-19-12-11-16(13-19)22-17(20)18(21,15-9-5-6-10-15)14-7-3-2-4-8-14/h2-4,7-8,15-16,21H,5-6,9-13H2,1H3
InChIKey: OVGMKPGXRHJNKJ-UHFFFAOYSA-N
SMILES: C1(CCN(C1)C)OC(=O)C(O)(C1C=CC=CC=1)C1CCCC1
FDA UNII: 79 E4GF757C · 79E4GF757C
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 301 · P301+P312+P330
WGK Germany: 3 · WGK 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral