U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C14H20N2O.ClH
Molecular Weight 268.782
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of APTOCAINE HYDROCHLORIDE

SMILES

Cl.CC(N1CCCC1)C(=O)NC2=C(C)C=CC=C2

InChI

InChIKey=JUSHHIAJHXVGRP-UHFFFAOYSA-N
InChI=1S/C14H20N2O.ClH/c1-11-7-3-4-8-13(11)15-14(17)12(2)16-9-5-6-10-16;/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,15,17);1H

HIDE SMILES / InChI

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

Molecular Formula C14H20N2O
Molecular Weight 232.3214
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:07:34 UTC 2023
Edited
by admin
on Sat Dec 16 10:07:34 UTC 2023
Record UNII
N8QZQ3Y7GY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APTOCAINE HYDROCHLORIDE
Common Name English
1-PYRROLIDINEACETAMIDE, .ALPHA.-METHYL-N-(2-METHYLPHENYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
3084310
Created by admin on Sat Dec 16 10:07:34 UTC 2023 , Edited by admin on Sat Dec 16 10:07:34 UTC 2023
PRIMARY
EPA CompTox
DTXSID80940955
Created by admin on Sat Dec 16 10:07:34 UTC 2023 , Edited by admin on Sat Dec 16 10:07:34 UTC 2023
PRIMARY
FDA UNII
N8QZQ3Y7GY
Created by admin on Sat Dec 16 10:07:34 UTC 2023 , Edited by admin on Sat Dec 16 10:07:34 UTC 2023
PRIMARY
ECHA (EC/EINECS)
242-933-8
Created by admin on Sat Dec 16 10:07:34 UTC 2023 , Edited by admin on Sat Dec 16 10:07:34 UTC 2023
PRIMARY
CAS
19281-32-4
Created by admin on Sat Dec 16 10:07:34 UTC 2023 , Edited by admin on Sat Dec 16 10:07:34 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY