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Details

Stereochemistry ACHIRAL
Molecular Formula C15H20N2O3.ClH
Molecular Weight 312.792
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(HEXAHYDRO-1H-AZEPIN-1-YL)-1-(3-NITROPHENYL)-1-PROPANONE MONOHYDROCHLORIDE

SMILES

Cl.[O-][N+](=O)C1=CC(=CC=C1)C(=O)CCN2CCCCCC2

InChI

InChIKey=GZSMZOZGZVJTLF-UHFFFAOYSA-N
InChI=1S/C15H20N2O3.ClH/c18-15(8-11-16-9-3-1-2-4-10-16)13-6-5-7-14(12-13)17(19)20;/h5-7,12H,1-4,8-11H2;1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
NSC-150074
Preferred Name English
3-(HEXAHYDRO-1H-AZEPIN-1-YL)-1-(3-NITROPHENYL)-1-PROPANONE MONOHYDROCHLORIDE
Systematic Name English
1-PROPANONE, 3-(HEXAHYDRO-1H-AZEPIN-1-YL)-1-(3-NITROPHENYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
PROPIOPHENONE, 3-(HEXAHYDRO-1H-AZEPIN-1-YL)-3'-NITRO-, MONOHYDROCHLORIDE
Systematic Name English
PHENITRON
Common Name English
PROPIOPHENONE, 3-(HEXAHYDRO-1H-AZEPIN-1-YL)-3'-NITRO-, HYDROCHLORIDE
Systematic Name English
PHENITRONE
Common Name English
1-PROPANONE, 3-(HEXAHYDRO-1H-AZEPIN-1-YL)-1-(3-NITROPHENYL)-, MONOHYDROCHLORIDE
Systematic Name English
3-(HEXAHYDRO-1H-AZEPIN-1-YL)-3'-NITROPROPIOPHENONE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
Y50DZH35VZ
Created by admin on Mon Mar 31 19:39:53 GMT 2025 , Edited by admin on Mon Mar 31 19:39:53 GMT 2025
PRIMARY
CAS
13492-21-2
Created by admin on Mon Mar 31 19:39:53 GMT 2025 , Edited by admin on Mon Mar 31 19:39:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID70159079
Created by admin on Mon Mar 31 19:39:53 GMT 2025 , Edited by admin on Mon Mar 31 19:39:53 GMT 2025
PRIMARY
PUBCHEM
197917
Created by admin on Mon Mar 31 19:39:53 GMT 2025 , Edited by admin on Mon Mar 31 19:39:53 GMT 2025
PRIMARY
NSC
150074
Created by admin on Mon Mar 31 19:39:53 GMT 2025 , Edited by admin on Mon Mar 31 19:39:53 GMT 2025
PRIMARY
ECHA (EC/EINECS)
236-808-7
Created by admin on Mon Mar 31 19:39:53 GMT 2025 , Edited by admin on Mon Mar 31 19:39:53 GMT 2025
PRIMARY
NIH
NCATS
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