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Details

Stereochemistry MIXED
Molecular Formula C18H25NO3.ClH
Molecular Weight 339.857
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYLPYRROLIDIN-3-YL 2-CYCLOPENTYL-2-HYDROXY-2-PHENYLACETATE HYDROCHLORIDE

SMILES

Cl.CN1CCC(C1)OC(=O)C(O)(C2CCCC2)C3=CC=CC=C3

InChI

InChIKey=IUFZTNHOGFUUBG-UHFFFAOYSA-N
InChI=1S/C18H25NO3.ClH/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;1H

HIDE SMILES / InChI
Molecular Formula C18H25NO3
Molecular Weight 303.396
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED
Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 15:34:31 UTC 2023
Edited
by admin
on Sat Dec 16 15:34:31 UTC 2023
Record UNII
QU3P2X9VCR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-METHYLPYRROLIDIN-3-YL 2-CYCLOPENTYL-2-HYDROXY-2-PHENYLACETATE HYDROCHLORIDE
Systematic Name English
3-PYRROLIDINOL, 1-METHYL-, .ALPHA.-CYCLOPENTYLMANDELATE, HYDROCHLORIDE
Systematic Name English
3-PYRROLIDINOL, 1-METHYL-, .ALPHA.-CYCLOPENTYLMANDELATE (ESTER), HYDROCHLORIDE
Systematic Name English
NSC-172251
Code English
BENZENEACETIC ACID, .ALPHA.-CYCLOPENTYL-.ALPHA.-HYDROXY-, 1-METHYL-3-PYRROLIDINYL ESTER, HYDROCHLORIDE
Systematic Name English
BENZENEACETIC ACID, .ALPHA.-CYCLOPENTYL-.ALPHA.-HYDROXY-, 1-METHYL-3-PYRROLIDINYL ESTER, HYDROCHLORIDE (1:1)
Systematic Name English
1-METHYL-3-PYRROLIDYL-.ALPHA.-PHENYLCYCLOPENTYLGLYCOLATE HYDROCHLORIDE
Systematic Name English
1-METHYL-3-PYRROLIDYL-.ALPHA.-PHENYLCYCLOPENTANE GLYCOLATE HYDROCHLORIDE
Systematic Name English
GLYCOPYRROLATE RELATED COMPOUND B [USP-RS]
Common Name English
AHR-376
Code English
MANDELIC ACID, .ALPHA.-CYCLOPENTYL-, 1-METHYL-3-PYRROLIDINYL ESTER, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
QU3P2X9VCR
Created by admin on Sat Dec 16 15:34:31 UTC 2023 , Edited by admin on Sat Dec 16 15:34:31 UTC 2023
PRIMARY
CAS
13118-10-0
Created by admin on Sat Dec 16 15:34:31 UTC 2023 , Edited by admin on Sat Dec 16 15:34:31 UTC 2023
PRIMARY
NSC
172251
Created by admin on Sat Dec 16 15:34:31 UTC 2023 , Edited by admin on Sat Dec 16 15:34:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID30927110
Created by admin on Sat Dec 16 15:34:31 UTC 2023 , Edited by admin on Sat Dec 16 15:34:31 UTC 2023
PRIMARY
RS_ITEM_NUM
1296031
Created by admin on Sat Dec 16 15:34:31 UTC 2023 , Edited by admin on Sat Dec 16 15:34:31 UTC 2023
PRIMARY
PUBCHEM
25726
Created by admin on Sat Dec 16 15:34:31 UTC 2023 , Edited by admin on Sat Dec 16 15:34:31 UTC 2023
PRIMARY
Related Record Type Details
Structure of GLYCOPYRROLATE
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