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Details

Stereochemistry RACEMIC
Molecular Formula C19H28NO3
Molecular Weight 318.4305
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of GLYCOPYRRONIUM, THREO-

SMILES

C[N+]1(C)CC[C@H](C1)OC(=O)[C@@](O)(C2CCCC2)C3=CC=CC=C3

InChI

InChIKey=ANGKOCUUWGHLCE-MJGOQNOKSA-N
InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1/t17-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H27NO3
Molecular Weight 317.4226
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:46:39 GMT 2023
Edited
by admin
on Fri Dec 15 15:46:39 GMT 2023
Record UNII
2BU2974722
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GLYCOPYRRONIUM, THREO-
Common Name English
PYRROLIDINIUM, 3-(((2R)-2-CYCLOPENTYL-2-HYDROXY-2-PHENYLACETYL)OXY)-1,1-DIMETHYL-, (3R)-REL-
Systematic Name English
PYRROLIDINIUM, 3-((CYCLOPENTYLHYDROXYPHENYLACETYL)OXY)-1,1-DIMETHYL-, (R*,R*)-
Systematic Name English
(3RS)-3-[(2RS)-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]-1,1-dimethylpyrrolidinium
Systematic Name English
Code System Code Type Description
FDA UNII
2BU2974722
Created by admin on Fri Dec 15 15:46:39 GMT 2023 , Edited by admin on Fri Dec 15 15:46:39 GMT 2023
PRIMARY
CAS
740031-54-3
Created by admin on Fri Dec 15 15:46:39 GMT 2023 , Edited by admin on Fri Dec 15 15:46:39 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY