U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C21H32N6O4
Molecular Weight 432.5166
Optical Activity NONE
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1s,4s)-1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-(methoxymethyl)-4-(N-phenylpropanamido)piperidine 1-oxide

SMILES

CCN1N=NN(CC[N@+]2([O-])CC[C@](COC)(CC2)N(C(=O)CC)C3=CC=CC=C3)C1=O

InChI

InChIKey=KYLDEOBRCUVVJO-ZSQTZEJBSA-N
InChI=1S/C21H32N6O4/c1-4-19(28)26(18-9-7-6-8-10-18)21(17-31-3)11-14-27(30,15-12-21)16-13-25-20(29)24(5-2)22-23-25/h6-10H,4-5,11-17H2,1-3H3/t21-,27+

HIDE SMILES / InChI

Molecular Formula C21H32N6O4
Molecular Weight 432.5166
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:06:52 GMT 2025
Edited
by admin
on Wed Apr 02 12:06:52 GMT 2025
Record UNII
HA9D6VSF7S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALFENTANIL HYDROCHLORIDE HYDRATE IMPURITY A [EP IMPURITY]
Preferred Name English
(1s,4s)-1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-(methoxymethyl)-4-(N-phenylpropanamido)piperidine 1-oxide
Common Name English
Code System Code Type Description
FDA UNII
HA9D6VSF7S
Created by admin on Wed Apr 02 12:06:52 GMT 2025 , Edited by admin on Wed Apr 02 12:06:52 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP