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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H22N2O5S3
Molecular Weight 442.573
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETIC ACID, 2-((5-((3-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PROPYL)THIO)-1,3,4-THIADIAZOL-2-YL)THIO)-

SMILES

CCCC1=C(O)C(=CC=C1OCCCSC2=NN=C(SCC(O)=O)S2)C(C)=O

InChI

InChIKey=RRUNJEUMTFLLDY-UHFFFAOYSA-N
InChI=1S/C18H22N2O5S3/c1-3-5-13-14(7-6-12(11(2)21)16(13)24)25-8-4-9-26-17-19-20-18(28-17)27-10-15(22)23/h6-7,24H,3-5,8-10H2,1-2H3,(H,22,23)

HIDE SMILES / InChI

Molecular Formula C18H22N2O5S3
Molecular Weight 442.573
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 Fri Dec 15 18:41:31 GMT 2023
Edited
by admin
on Fri Dec 15 18:41:31 GMT 2023
Record UNII
E5F561UK9X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETIC ACID, 2-((5-((3-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PROPYL)THIO)-1,3,4-THIADIAZOL-2-YL)THIO)-
Systematic Name English
YM-16638
Common Name English
2-((5-((3-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PROPYL)THIO)-1,3,4-THIADIAZOL-2-YL)THIO)ACETIC ACID
Systematic Name English
YM-638
Code English
Code System Code Type Description
FDA UNII
E5F561UK9X
Created by admin on Fri Dec 15 18:41:31 GMT 2023 , Edited by admin on Fri Dec 15 18:41:31 GMT 2023
PRIMARY
PUBCHEM
128491
Created by admin on Fri Dec 15 18:41:31 GMT 2023 , Edited by admin on Fri Dec 15 18:41:31 GMT 2023
PRIMARY
CAS
104073-72-5
Created by admin on Fri Dec 15 18:41:31 GMT 2023 , Edited by admin on Fri Dec 15 18:41:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID70146242
Created by admin on Fri Dec 15 18:41:31 GMT 2023 , Edited by admin on Fri Dec 15 18:41:31 GMT 2023
PRIMARY