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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22O6S2
Molecular Weight 398.494
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SYGETHIN FREE ACID

SMILES

CC[C@@H]([C@@H](CC)C1=CC=C(C=C1)S(O)(=O)=O)C2=CC=C(C=C2)S(O)(=O)=O

InChI

InChIKey=VVNNCRNANKENRU-HDICACEKSA-N
InChI=1S/C18H22O6S2/c1-3-17(13-5-9-15(10-6-13)25(19,20)21)18(4-2)14-7-11-16(12-8-14)26(22,23)24/h5-12,17-18H,3-4H2,1-2H3,(H,19,20,21)(H,22,23,24)/t17-,18+

HIDE SMILES / InChI

Molecular Formula C18H22O6S2
Molecular Weight 398.494
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 07:56:10 GMT 2023
Edited
by admin
on Sat Dec 16 07:56:10 GMT 2023
Record UNII
Z2WJD37N4U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SYGETHIN FREE ACID
Common Name English
BENZENESULFONIC ACID, 4,4'-(1,2-DIETHYL-1,2-ETHANEDIYL)BIS-, (R*,S*)-
Common Name English
Code System Code Type Description
SMS_ID
300000039654
Created by admin on Sat Dec 16 07:56:10 GMT 2023 , Edited by admin on Sat Dec 16 07:56:10 GMT 2023
PRIMARY
FDA UNII
Z2WJD37N4U
Created by admin on Sat Dec 16 07:56:10 GMT 2023 , Edited by admin on Sat Dec 16 07:56:10 GMT 2023
PRIMARY
CAS
60252-39-3
Created by admin on Sat Dec 16 07:56:10 GMT 2023 , Edited by admin on Sat Dec 16 07:56:10 GMT 2023
PRIMARY
PUBCHEM
124695
Created by admin on Sat Dec 16 07:56:10 GMT 2023 , Edited by admin on Sat Dec 16 07:56:10 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY