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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H26N2O2.2ClH.4H2O
Molecular Weight 471.416
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(4-(3-((3S)-3-methyl-1-piperidyl)propoxy)phenyl)pyridine 1-oxide dihydrochloride tetrahydrate

SMILES

O.O.O.O.Cl.Cl.C[C@H]1CCCN(CCCOC2=CC=C(C=C2)C3=CC=[N+]([O-])C=C3)C1

InChI

InChIKey=QZLIYBBIQBXIHK-RZSSRHINSA-N
InChI=1S/C20H26N2O2.2ClH.4H2O/c1-17-4-2-11-21(16-17)12-3-15-24-20-7-5-18(6-8-20)19-9-13-22(23)14-10-19;;;;;;/h5-10,13-14,17H,2-4,11-12,15-16H2,1H3;2*1H;4*1H2/t17-;;;;;;/m0....../s1

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 C20H26N2O2
Molecular Weight 326.4326
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:17:41 GMT 2025
Edited
by admin
on Wed Apr 02 21:17:41 GMT 2025
Record UNII
ZT8DY368A2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(4-(3-((3S)-3-methyl-1-piperidyl)propoxy)phenyl)pyridine 1-oxide dihydrochloride tetrahydrate
Common Name English
Pyridine, 4-[4-[3-[(3S)-3-methyl-1-piperidinyl]propoxy]phenyl]-, 1-oxide, hydrochloride, hydrate (1:2:4)
Preferred Name English
Code System Code Type Description
FDA UNII
ZT8DY368A2
Created by admin on Wed Apr 02 21:17:41 GMT 2025 , Edited by admin on Wed Apr 02 21:17:41 GMT 2025
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SMS_ID
300000052170
Created by admin on Wed Apr 02 21:17:41 GMT 2025 , Edited by admin on Wed Apr 02 21:17:41 GMT 2025
PRIMARY
CAS
2245131-83-1
Created by admin on Wed Apr 02 21:17:41 GMT 2025 , Edited by admin on Wed Apr 02 21:17:41 GMT 2025
PRIMARY
PUBCHEM
153407074
Created by admin on Wed Apr 02 21:17:41 GMT 2025 , Edited by admin on Wed Apr 02 21:17:41 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY