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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H15Cl2N3O5S.ClH
Molecular Weight 444.718
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of T-1333

SMILES

Cl.CS(=O)(=O)OC[C@H]1CO[C@@](CN2C=NC=N2)(O1)C3=CC=C(Cl)C=C3Cl

InChI

InChIKey=VOEZOGZQSVLIRN-GGMFNZDASA-N
InChI=1S/C14H15Cl2N3O5S.ClH/c1-25(20,21)23-6-11-5-22-14(24-11,7-19-9-17-8-18-19)12-3-2-10(15)4-13(12)16;/h2-4,8-9,11H,5-7H2,1H3;1H/t11-,14+;/m1./s1

HIDE SMILES / InChI

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 C14H15Cl2N3O5S
Molecular Weight 408.257
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:14:34 GMT 2025
Edited
by admin
on Mon Mar 31 18:14:34 GMT 2025
Record UNII
TB4P756HGC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
T-1333
Code English
1,3-DIOXOLANE-4-METHANOL, 2-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-, METHANESULFONATE (ESTER), MONOHYDROCHLORIDE, CIS-
Preferred Name English
Code System Code Type Description
CAS
155661-07-7
Created by admin on Mon Mar 31 18:14:34 GMT 2025 , Edited by admin on Mon Mar 31 18:14:34 GMT 2025
PRIMARY
PUBCHEM
133082483
Created by admin on Mon Mar 31 18:14:34 GMT 2025 , Edited by admin on Mon Mar 31 18:14:34 GMT 2025
PRIMARY
FDA UNII
TB4P756HGC
Created by admin on Mon Mar 31 18:14:34 GMT 2025 , Edited by admin on Mon Mar 31 18:14:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID801020958
Created by admin on Mon Mar 31 18:14:34 GMT 2025 , Edited by admin on Mon Mar 31 18:14:34 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE