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Details

Stereochemistry RACEMIC
Molecular Formula C19H27ClNO3.Br
Molecular Weight 432.78
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLOROGLYCOPYRRONIUM BROMIDE

SMILES

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

InChI

InChIKey=DCPQHGSMOUUQST-JUOYHRLASA-M
InChI=1S/C19H27ClNO3.BrH/c1-21(2)12-11-17(13-21)24-18(22)19(23,14-5-3-4-6-14)15-7-9-16(20)10-8-15;/h7-10,14,17,23H,3-6,11-13H2,1-2H3;1H/q+1;/p-1/t17-,19+;/m0./s1

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H26ClNO3
Molecular Weight 351.868
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:16:33 GMT 2023
Edited
by admin
on Sat Dec 16 11:16:33 GMT 2023
Record UNII
H4S7L81L98
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLOROGLYCOPYRRONIUM BROMIDE
Common Name English
PYRROLIDINIUM, 3-((2-(4-CHLOROPHENYL)-2-CYCLOPENTYL-2-HYDROXYACETYL)OXY)-1,1-DIMETHYL-, BROMIDE (1:1)
Systematic Name English
(±)-(3RS)-3-((2SR)-(2-(4-CHLOROPHENYL)-2-CYCLOPENTYL-2-HYDROXYACETYL)OXY)-1,1-DIMETHYLPYRROLIDINIUM BROMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
H4S7L81L98
Created by admin on Sat Dec 16 11:16:33 GMT 2023 , Edited by admin on Sat Dec 16 11:16:33 GMT 2023
PRIMARY
PUBCHEM
112500540
Created by admin on Sat Dec 16 11:16:33 GMT 2023 , Edited by admin on Sat Dec 16 11:16:33 GMT 2023
PRIMARY
CAS
1404453-68-4
Created by admin on Sat Dec 16 11:16:33 GMT 2023 , Edited by admin on Sat Dec 16 11:16:33 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
PARENT -> SALT/SOLVATE