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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO2.ClH
Molecular Weight 307.815
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NISOXETINE HYDROCHLORIDE, (+)-

SMILES

Cl.CNCC[C@@H](OC1=C(OC)C=CC=C1)C2=CC=CC=C2

InChI

InChIKey=LCEURBZEQJZUPV-XFULWGLBSA-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/t15-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C17H21NO2
Molecular Weight 271.3541
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:41:46 UTC 2023
Edited
by admin
on Sat Dec 16 00:41:46 UTC 2023
Record UNII
22NZ2QEN9S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NISOXETINE HYDROCHLORIDE, (+)-
Common Name English
BENZENEPROPANAMINE, .GAMMA.-(2-METHOXYPHENOXY)-N-METHYL-, HYDROCHLORIDE, (R)-
Systematic Name English
BENZENEPROPANAMINE, .GAMMA.-(2-METHOXYPHENOXY)-N-METHYL-, HYDROCHLORIDE (1:1), (.GAMMA.R)-
Systematic Name English
Code System Code Type Description
FDA UNII
22NZ2QEN9S
Created by admin on Sat Dec 16 00:41:46 UTC 2023 , Edited by admin on Sat Dec 16 00:41:46 UTC 2023
PRIMARY
CAS
114446-53-6
Created by admin on Sat Dec 16 00:41:46 UTC 2023 , Edited by admin on Sat Dec 16 00:41:46 UTC 2023
PRIMARY
PUBCHEM
12807463
Created by admin on Sat Dec 16 00:41:46 UTC 2023 , Edited by admin on Sat Dec 16 00:41:46 UTC 2023
PRIMARY