N-(1-(2-(4-ETHYL-5-OXO-TETRAZOL-1-YL)ETHYL)-4-PIPERIDYL)-N-PHENYL-PROPANAMIDE OXALATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H28N6O2.C2H2O4
Molecular Weight	462.4995
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(1-(2-(4-ETHYL-5-OXO-TETRAZOL-1-YL)ETHYL)-4-PIPERIDYL)-N-PHENYL-PROPANAMIDE OXALATE

Structure Search

SMILES

OC(=O)C(O)=O.CCN1N=NN(CCN2CCC(CC2)N(C(=O)CC)C3=CC=CC=C3)C1=O

InChI

InChIKey=RPDFCJGVWSHDQP-UHFFFAOYSA-N

InChI=1S/C19H28N6O2.C2H2O4/c1-3-18(26)25(16-8-6-5-7-9-16)17-10-12-22(13-11-17)14-15-24-19(27)23(4-2)20-21-24;3-1(4)2(5)6/h5-9,17H,3-4,10-15H2,1-2H3;(H,3,4)(H,5,6)

HIDE SMILES / InChI

Molecular Formula	C19H28N6O2
Molecular Weight	372.4646
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C2H2O4
Molecular Weight	90.0349
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:24:24 GMT 2023` Edited by `admin` on `Sat Dec 16 13:24:24 GMT 2023`
Record UNII	P4N9P1U31D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-(1-(2-(4-ETHYL-5-OXO-TETRAZOL-1-YL)ETHYL)-4-PIPERIDYL)-N-PHENYL-PROPANAMIDE OXALATE

Systematic Name

English

PROPANAMIDE, N-(1-(2-(4-ETHYL-4,5-DIHYDRO-5-OXO-1H-TETRAZOL-1-YL)ETHYL)-4-PIPERIDINYL)-N-PHENYL-, ETHANEDIOATE (1:1)

Systematic Name

English

N-(1-(2-(4-ETHYL-4,5-DIHYDRO-5-OXO-1H-TETRAZOL-1-YL)-ETHYL)-4-PIPERIDINYL)-N-PHENYLPROPANAMIDE ETHANEDIOATE(1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

P4N9P1U31D

Created by admin on Sat Dec 16 13:24:24 GMT 2023 , Edited by admin on Sat Dec 16 13:24:24 GMT 2023

PRIMARY

PUBCHEM

13676722

Created by admin on Sat Dec 16 13:24:24 GMT 2023 , Edited by admin on Sat Dec 16 13:24:24 GMT 2023

PRIMARY

CAS

104072-20-0

Created by admin on Sat Dec 16 13:24:24 GMT 2023 , Edited by admin on Sat Dec 16 13:24:24 GMT 2023

PRIMARY

Related Record Type Details


					W7V1EZ8WT9

N-(1-(2-(4-ETHYL-5-OXO-TETRAZOL-1-YL)ETHYL)-4-PIPERIDYL)-N-PHENYL-PROPANAMIDE

PARENT -> SALT/SOLVATE

Comments:

fentanyl analogue - synthesis intermediate