ChemicalBook--->CAS DataBase List--->13118-11-1

13118-11-1

13118-11-1 Structure

13118-11-1 Structure
IdentificationBack Directory
[Name]

1-methylpyrrolidin-3-yl cyclopentylphenylglycolate
[CAS]

13118-11-1
[Synonyms]

Glycopyrrolate Related CoMpound B
GlycopyrroniuM BroMide interMediate B
N-Methyl-3-pyrrolidinyl Cyclopentylmandelate
1-methylpyrrolidin-3-yl cyclopentylphenylglycolate
a-Cyclopentyl-mandelic Acid 1-Methyl-3-pyrrolidinyl Ester
α-Cyclopentyl-mandelic Acid 1-Methyl-3-pyrrolidinyl Ester
1-Methylpyrrolidin-3-yl -2-cyclopentylhydroxyphenylacetate
1-Methylpyrrolidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
α-Cyclopentyl-α-hydroxybenzeneacetic acid 1-methylpyrrolidin-3-yl ester
N-Methyl-3-pyrrolidinyl CyclopentylMandelate (Mixture of diastereoMers)
α-Cyclopentyl-α-hydroxy-benzeneacetic Acid 1-Methyl-3-pyrrolidinyl Ester
a-Cyclopentyl-a-hydroxy-benzeneacetic Acid 1-Methyl-3-pyrrolidinyl Ester
Benzeneacetic acid, a-cyclopentyl-a-hydroxy-,1-Methyl-3-pyrrolidinyl ester
Glycopyrrolate Related Compound B (75 mg) (1-Methylpyrrolidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate)
[EINECS(EC#)]

236-047-0
[Molecular Formula]

C18H25NO3
[MOL File]

13118-11-1.mol
[Molecular Weight]

303.396
Chemical PropertiesBack Directory
[Appearance]

Light-Yellow Oil
[Boiling point ]

434.6±45.0 °C(Predicted)
[density ]

1.17±0.1 g/cm3 (20 ºC 760 Torr)
[refractive index ]

1.5256 (589.3 nm 23℃)
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

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
Hazard InformationBack Directory
[Chemical Properties]

Light-Yellow Oil
[Uses]

Glycopyrrolate impurity.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P301+P312+P330
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
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