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Details

Stereochemistry ACHIRAL
Molecular Formula C10H11O2.Na
Molecular Weight 186.1829
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM HINOKITIOL

SMILES

[Na+].CC(C)C1=CC=CC(=O)C([O-])=C1

InChI

InChIKey=FRPWTKJJZHVSHD-UHFFFAOYSA-M
InChI=1S/C10H12O2.Na/c1-7(2)8-4-3-5-9(11)10(12)6-8;/h3-7H,1-2H3,(H,11,12);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H11O2
Molecular Weight 163.1931
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
2.76 µM [IC50]
24.0 µM [IC50]
61.0 µM [IC50]
90.0 nM [IC50]
15.44 nM [Ki]
177.95 nM [Ki]
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:28:29 UTC 2023
Edited
by admin
on Sat Dec 16 01:28:29 UTC 2023
Record UNII
5MPS47D679
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM HINOKITIOL
INCI  
INCI  
Official Name English
HINOKITIOL SODIUM
Common Name English
HINOKITIOL SODIUM SALT
Common Name English
2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-4-(1-METHYLETHYL)-, SODIUM SALT
Common Name English
2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-HYDROXY-4-(1-METHYLETHYL)-, SODIUM SALT (1:1)
Common Name English
SODIUM HINOKITIOL [INCI]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30169674
Created by admin on Sat Dec 16 01:28:30 UTC 2023 , Edited by admin on Sat Dec 16 01:28:30 UTC 2023
PRIMARY
PUBCHEM
71587018
Created by admin on Sat Dec 16 01:28:30 UTC 2023 , Edited by admin on Sat Dec 16 01:28:30 UTC 2023
PRIMARY
CAS
17387-01-8
Created by admin on Sat Dec 16 01:28:30 UTC 2023 , Edited by admin on Sat Dec 16 01:28:30 UTC 2023
PRIMARY
FDA UNII
5MPS47D679
Created by admin on Sat Dec 16 01:28:30 UTC 2023 , Edited by admin on Sat Dec 16 01:28:30 UTC 2023
PRIMARY
RXCUI
1541742
Created by admin on Sat Dec 16 01:28:30 UTC 2023 , Edited by admin on Sat Dec 16 01:28:30 UTC 2023
PRIMARY RxNorm
DAILYMED
5MPS47D679
Created by admin on Sat Dec 16 01:28:30 UTC 2023 , Edited by admin on Sat Dec 16 01:28:30 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE