1,4,8-Tritosyl-1,4,8,11-tetraazacyclotetradecane

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H42N4O6S3
Molecular Weight	662.883
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,4,8-Tritosyl-1,4,8,11-tetraazacyclotetradecane

Structure Search

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCN(CCCNCC2)S(=O)(=O)C3=CC=C(C)C=C3)S(=O)(=O)C4=CC=C(C)C=C4

InChI

InChIKey=AGQXRPMVTPWIED-UHFFFAOYSA-N

InChI=1S/C31H42N4O6S3/c1-26-6-12-29(13-7-26)42(36,37)33-21-5-22-35(44(40,41)31-16-10-28(3)11-17-31)25-24-34(20-4-18-32-19-23-33)43(38,39)30-14-8-27(2)9-15-30/h6-17,32H,4-5,18-25H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C31H42N4O6S3
Molecular Weight	662.883
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 17:12:00 GMT 2025` Edited by `admin` on `Wed Apr 02 17:12:00 GMT 2025`
Record UNII	UWX2FG5LJT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1,4,8-Tritosyl-1,4,8,11-tetraazacyclotetradecane

Systematic Name

English

N,N?,N??-Tri(tosyl)cyclam

Preferred Name

English

1,4,8-Tris[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane

Systematic Name

English

1,4,8,11-Tetraazacyclotetradecane, 1,4,8-tris[(4-methylphenyl)sulfonyl]-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40474903

Created by admin on Wed Apr 02 17:12:00 GMT 2025 , Edited by admin on Wed Apr 02 17:12:00 GMT 2025

PRIMARY

CAS

104395-69-9

Created by admin on Wed Apr 02 17:12:00 GMT 2025 , Edited by admin on Wed Apr 02 17:12:00 GMT 2025

PRIMARY

FDA UNII

UWX2FG5LJT

Created by admin on Wed Apr 02 17:12:00 GMT 2025 , Edited by admin on Wed Apr 02 17:12:00 GMT 2025

PRIMARY

PUBCHEM

11966769

Created by admin on Wed Apr 02 17:12:00 GMT 2025 , Edited by admin on Wed Apr 02 17:12:00 GMT 2025

PRIMARY