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Details

Stereochemistry ACHIRAL
Molecular Formula C18H24N2S.ClH
Molecular Weight 336.922
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Metaphit hydrochloride

SMILES

Cl.S=C=NC1=CC(=CC=C1)C2(CCCCC2)N3CCCCC3

InChI

InChIKey=SQLXFWRNBGEFRT-UHFFFAOYSA-N
InChI=1S/C18H24N2S.ClH/c21-15-19-17-9-7-8-16(14-17)18(10-3-1-4-11-18)20-12-5-2-6-13-20;/h7-9,14H,1-6,10-13H2;1H

HIDE SMILES / InChI

Molecular Formula C18H24N2S
Molecular Weight 300.462
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
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

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 15:48:01 GMT 2025
Edited
by admin
on Wed Apr 02 15:48:01 GMT 2025
Record UNII
ZW68N4XKS9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Metaphit hydrochloride
Common Name English
Piperidine, 1-[1-(3-isothiocyanatophenyl)cyclohexyl]-, hydrochloride (1:1)
Preferred Name English
Piperidine, 1-[1-(3-isothiocyanatophenyl)cyclohexyl]-, monohydrochloride
Systematic Name English
Code System Code Type Description
FDA UNII
ZW68N4XKS9
Created by admin on Wed Apr 02 15:48:01 GMT 2025 , Edited by admin on Wed Apr 02 15:48:01 GMT 2025
PRIMARY
CAS
96332-92-2
Created by admin on Wed Apr 02 15:48:01 GMT 2025 , Edited by admin on Wed Apr 02 15:48:01 GMT 2025
PRIMARY
PUBCHEM
164512928
Created by admin on Wed Apr 02 15:48:01 GMT 2025 , Edited by admin on Wed Apr 02 15:48:01 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE