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 C22H27ClN2O.ClH
Molecular Weight 407.377
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-CHLOROFENTANYL HYDROCHLORIDE

SMILES

Cl.CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C3=CC=C(Cl)C=C3

InChI

InChIKey=NWLNPLDZEOKFCM-UHFFFAOYSA-N
InChI=1S/C22H27ClN2O.ClH/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18;/h3-11,21H,2,12-17H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H27ClN2O
Molecular Weight 370.916
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
KM4GAJ72RJ
Record Status Validated (UNII)
Record Version