U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H19Cl2N3O5S
Molecular Weight 484.353
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tosylate, Cis-

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C4=C(Cl)C=C(Cl)C=C4

InChI

InChIKey=USLNGHIZGCHFQQ-UZLBHIALSA-N
InChI=1S/C20H19Cl2N3O5S/c1-14-2-5-17(6-3-14)31(26,27)29-10-16-9-28-20(30-16,11-25-13-23-12-24-25)18-7-4-15(21)8-19(18)22/h2-8,12-13,16H,9-11H2,1H3/t16-,20+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Tosylate, Cis-
Common Name English
Cis-Tosylate
Common Name English
1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 4-methylbenzenesulfonate (ester), (2R,4R)-
Systematic Name English
1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 4-methylbenzenesulfonate (ester), (2R-cis)-
Systematic Name English
1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-, 4-(4-methylbenzenesulfonate), (2R,4R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
10672491
Created by admin on Sat Dec 16 19:55:43 GMT 2023 , Edited by admin on Sat Dec 16 19:55:43 GMT 2023
PRIMARY
CAS
154003-23-3
Created by admin on Sat Dec 16 19:55:43 GMT 2023 , Edited by admin on Sat Dec 16 19:55:43 GMT 2023
PRIMARY
FDA UNII
W7NHW7NS2R
Created by admin on Sat Dec 16 19:55:43 GMT 2023 , Edited by admin on Sat Dec 16 19:55:43 GMT 2023
PRIMARY