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Details

Stereochemistry ACHIRAL
Molecular Formula C24H42O7P2
Molecular Weight 504.5336
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SR-12813

SMILES

CCOP(=O)(OCC)C(=CC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC

InChI

InChIKey=YQLJDECYQDRSBI-UHFFFAOYSA-N
InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3

HIDE SMILES / InChI

Molecular Formula C24H42O7P2
Molecular Weight 504.5336
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
440.0 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:46:41 UTC 2023
Edited
by admin
on Sat Dec 16 11:46:41 UTC 2023
Record UNII
6Q7MN2PVB9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SR-12813
Code English
4-(2,2-BIS(DIETHOXYPHOSPHORYL)ETHENYL)-2,6-DITERT-BUTYLPHENOL
Systematic Name English
SR12813
Code English
PHOSPHONIC ACID, P,P'-((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)ETHENYLIDENE)BIS-, P,P,P',P'-TETRAETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
6Q7MN2PVB9
Created by admin on Sat Dec 16 11:46:41 UTC 2023 , Edited by admin on Sat Dec 16 11:46:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID90332221
Created by admin on Sat Dec 16 11:46:41 UTC 2023 , Edited by admin on Sat Dec 16 11:46:41 UTC 2023
PRIMARY
CAS
126411-39-0
Created by admin on Sat Dec 16 11:46:41 UTC 2023 , Edited by admin on Sat Dec 16 11:46:41 UTC 2023
PRIMARY
DRUG BANK
DB04466
Created by admin on Sat Dec 16 11:46:41 UTC 2023 , Edited by admin on Sat Dec 16 11:46:41 UTC 2023
PRIMARY
CHEBI
77317
Created by admin on Sat Dec 16 11:46:41 UTC 2023 , Edited by admin on Sat Dec 16 11:46:41 UTC 2023
PRIMARY
PUBCHEM
446313
Created by admin on Sat Dec 16 11:46:41 UTC 2023 , Edited by admin on Sat Dec 16 11:46:41 UTC 2023
PRIMARY