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Details

Stereochemistry RACEMIC
Molecular Formula C25H32O6S
Molecular Weight 460.583
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-649923

SMILES

CCCC1=C(OCCCSC2=CC=C(C=C2)[C@H](O)[C@@H](C)CC(O)=O)C=CC(C(C)=O)=C1O

InChI

InChIKey=YNHQJUJPBNEXHQ-UPCLLVRISA-N
InChI=1S/C25H32O6S/c1-4-6-21-22(12-11-20(17(3)26)25(21)30)31-13-5-14-32-19-9-7-18(8-10-19)24(29)16(2)15-23(27)28/h7-12,16,24,29-30H,4-6,13-15H2,1-3H3,(H,27,28)/t16-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H32O6S
Molecular Weight 460.583
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 Fri Dec 15 18:05:07 GMT 2023
Edited
by admin
on Fri Dec 15 18:05:07 GMT 2023
Record UNII
EX427F39XC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-649923
Common Name English
BENZENEBUTANOIC ACID, 4-((3-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PROPYL)THIO)-.GAMMA.-HYDROXY-.BETA.-METHYL-, MONOSODIUM SALT, (.BETA.R,.GAMMA.S)-REL-
Systematic Name English
BENZENEBUTANOIC ACID, 4-((3-(4-ACETYL-3-HYDROXY-2-PROPYLPHENOXY)PROPYL)THIO)-.GAMMA.-HYDROXY-.BETA.-METHYL-, (R*,S*)-
Systematic Name English
Code System Code Type Description
PUBCHEM
119331
Created by admin on Fri Dec 15 18:05:07 GMT 2023 , Edited by admin on Fri Dec 15 18:05:07 GMT 2023
PRIMARY
CAS
114370-57-9
Created by admin on Fri Dec 15 18:05:07 GMT 2023 , Edited by admin on Fri Dec 15 18:05:07 GMT 2023
PRIMARY
FDA UNII
EX427F39XC
Created by admin on Fri Dec 15 18:05:07 GMT 2023 , Edited by admin on Fri Dec 15 18:05:07 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY