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Details

Stereochemistry ACHIRAL
Molecular Formula C17H30N4O2S.3ClH
Molecular Weight 463.894
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Tosyl-1,4,8,11-tetraazacyclotetradecane trihydrochloride

SMILES

Cl.Cl.Cl.CC1=CC=C(C=C1)S(=O)(=O)N2CCCNCCNCCCNCC2

InChI

InChIKey=BYBDSVFKWRNFSP-UHFFFAOYSA-N
InChI=1S/C17H30N4O2S.3ClH/c1-16-4-6-17(7-5-16)24(22,23)21-14-3-10-19-12-11-18-8-2-9-20-13-15-21;;;/h4-7,18-20H,2-3,8-15H2,1H3;3*1H

HIDE SMILES / InChI

Molecular Formula C17H30N4O2S
Molecular Weight 354.511
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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:49:26 GMT 2023
Edited
by admin
on Sat Dec 16 19:49:26 GMT 2023
Record UNII
5XH7MB79AD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Tosyl-1,4,8,11-tetraazacyclotetradecane trihydrochloride
Systematic Name English
1,4,8,11-Tetraazacyclotetradecane, 1-[(4-methylphenyl)sulfonyl]-, hydrochloride (1:3)
Systematic Name English
1,4,8,11-Tetraazacyclotetradecane, 1-[(4-methylphenyl)sulfonyl]-, trihydrochloride
Systematic Name English
Code System Code Type Description
PUBCHEM
168010569
Created by admin on Sat Dec 16 19:49:26 GMT 2023 , Edited by admin on Sat Dec 16 19:49:26 GMT 2023
PRIMARY
CAS
128495-30-7
Created by admin on Sat Dec 16 19:49:26 GMT 2023 , Edited by admin on Sat Dec 16 19:49:26 GMT 2023
PRIMARY
FDA UNII
5XH7MB79AD
Created by admin on Sat Dec 16 19:49:26 GMT 2023 , Edited by admin on Sat Dec 16 19:49:26 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE