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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 Sat Dec 16 18:43:45 GMT 2023
Edited
by admin
on Sat Dec 16 18:43:45 GMT 2023
Record UNII
HA9D6VSF7S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(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
ALFENTANIL HYDROCHLORIDE HYDRATE IMPURITY A [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
HA9D6VSF7S
Created by admin on Sat Dec 16 18:43:45 GMT 2023 , Edited by admin on Sat Dec 16 18:43:45 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP