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

Details

Stereochemistry RACEMIC
Molecular Formula C17H21NO2.ClH
Molecular Weight 307.815
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NISOXETINE HYDROCHLORIDE

SMILES

Cl.CNCCC(OC1=C(OC)C=CC=C1)C2=CC=CC=C2

InChI

InChIKey=LCEURBZEQJZUPV-UHFFFAOYSA-N
InChI=1S/C17H21NO2.ClH/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2;/h3-11,15,18H,12-13H2,1-2H3;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 C17H21NO2
Molecular Weight 271.3541
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 Fri Dec 15 15:34:06 UTC 2023
Edited
by admin
on Fri Dec 15 15:34:06 UTC 2023
Record UNII
9X76P2Y0EM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NISOXETINE HYDROCHLORIDE
Common Name English
LY-94939
Code English
LILLY-94939
Code English
BENZENEPROPANAMINE, .GAMMA.-(2-METHOXYPHENOXY)-N-METHYL-, HYDROCHLORIDE (1:1)
Systematic Name English
BENZENEPROPANAMINE, .GAMMA.-(2-METHOXYPHENOXY)-N-METHYL-, HYDROCHLORIDE, (±)-
Systematic Name English
NSC-298819
Code English
BENZENEPROPANAMINE, .GAMMA.-(2-METHOXYPHENOXY)-N-METHYL-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
9X76P2Y0EM
Created by admin on Fri Dec 15 15:34:06 UTC 2023 , Edited by admin on Fri Dec 15 15:34:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID00110037
Created by admin on Fri Dec 15 15:34:06 UTC 2023 , Edited by admin on Fri Dec 15 15:34:06 UTC 2023
PRIMARY
NSC
298819
Created by admin on Fri Dec 15 15:34:06 UTC 2023 , Edited by admin on Fri Dec 15 15:34:06 UTC 2023
PRIMARY
PUBCHEM
134453
Created by admin on Fri Dec 15 15:34:06 UTC 2023 , Edited by admin on Fri Dec 15 15:34:06 UTC 2023
PRIMARY
CAS
57754-86-6
Created by admin on Fri Dec 15 15:34:06 UTC 2023 , Edited by admin on Fri Dec 15 15:34:06 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY