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Details

Stereochemistry RACEMIC
Molecular Formula C14H15Cl2N3O5S
Molecular Weight 408.257
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of T-1333 FREE BASE

SMILES

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

InChI

InChIKey=QIMASXGTWQEFGS-RISCZKNCSA-N
InChI=1S/C14H15Cl2N3O5S/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/t11-,14+/m1/s1

HIDE SMILES / InChI

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 Sat Dec 16 08:41:15 GMT 2023
Edited
by admin
on Sat Dec 16 08:41:15 GMT 2023
Record UNII
T2I5SBS81M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
T-1333 FREE BASE
Code English
1,3-DIOXOLANE-4-METHANOL, 2-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-, 4-METHANESULFONATE, (2R,4R)-REL-
Systematic Name English
CIS-2-(2,4-DICHLOROPHENYL)-2-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YLMETHYL METHANESULPHONATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
267-749-5
Created by admin on Sat Dec 16 08:41:15 GMT 2023 , Edited by admin on Sat Dec 16 08:41:15 GMT 2023
PRIMARY
PUBCHEM
1900032
Created by admin on Sat Dec 16 08:41:15 GMT 2023 , Edited by admin on Sat Dec 16 08:41:15 GMT 2023
PRIMARY
FDA UNII
T2I5SBS81M
Created by admin on Sat Dec 16 08:41:15 GMT 2023 , Edited by admin on Sat Dec 16 08:41:15 GMT 2023
PRIMARY
CAS
67914-86-7
Created by admin on Sat Dec 16 08:41:15 GMT 2023 , Edited by admin on Sat Dec 16 08:41:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID90987295
Created by admin on Sat Dec 16 08:41:15 GMT 2023 , Edited by admin on Sat Dec 16 08:41:15 GMT 2023
PRIMARY
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