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Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H5O3.Ca
Molecular Weight 314.3042
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM SALICYLATE

SMILES

c1ccc(c(c1)C(=O)O)O.c1ccc(c(c1)C(=O)[O-])[O-].[Ca+2]

InChI

InChIKey=VBIGULIJWJPALH-UHFFFAOYSA-L
InChI=1S/2C7H6O3.Ca/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2

HIDE SMILES / InChI
Calcium salicylate is the calcium salt of salicylic acid. The anti-cancer effectiveness of calcium salicylate has been investigated on human HT-1080 fibrosarcoma cell lines. Low calcium salicylate concentrations did not retard tumor growth progression significantly but its cytotoxic characteristics were proven to be prominent by various morphological and immunocytological techniques - approximately 25% apoptosis after treatment with calcium salicylate. This compound up-regulated the expression of p53, p21 and Bax, and down-regulated Bcl-2 in HT-1080 cells. In addition, calcium salicylate is used in root canal filling material development.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: CDKN1A (p21)
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
5282 μg/L
81 mg 1 times / day steady-state, oral
dose: 81 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
SALICYLIC ACID plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE
food status: UNKNOWN
525 μg/L
2 % 1 times / day steady-state, topical
dose: 2 %
route of administration: Topical
experiment type: STEADY-STATE
co-administered:
SALICYLIC ACID plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE
food status: FASTED
56.4 μg/mL
650 mg single, oral
dose: 650 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
SALICYLIC ACID plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
0.814 μg/mL
30 % single, topical
dose: 30 %
route of administration: Topical
experiment type: SINGLE
co-administered:
SALICYLIC ACID plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
22010 μg × h/L
81 mg 1 times / day steady-state, oral
dose: 81 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
SALICYLIC ACID plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE
food status: UNKNOWN
4225 μg × h/L
2 % 1 times / day steady-state, topical
dose: 2 %
route of administration: Topical
experiment type: STEADY-STATE
co-administered:
SALICYLIC ACID plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE
food status: FASTED
319.9 μg × h/mL
650 mg single, oral
dose: 650 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
SALICYLIC ACID plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
6.3944 μg × h/mL
30 % single, topical
dose: 30 %
route of administration: Topical
experiment type: SINGLE
co-administered:
SALICYLIC ACID plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
2.62 h
81 mg 1 times / day steady-state, oral
dose: 81 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
SALICYLIC ACID plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE
food status: UNKNOWN
7.62 h
2 % 1 times / day steady-state, topical
dose: 2 %
route of administration: Topical
experiment type: STEADY-STATE
co-administered:
SALICYLIC ACID plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE
food status: FASTED
2.23 h
650 mg single, oral
dose: 650 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
SALICYLIC ACID plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
3.82 h
30 % single, topical
dose: 30 %
route of administration: Topical
experiment type: SINGLE
co-administered:
SALICYLIC ACID plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
Funbound

Funbound

ValueDoseCo-administeredAnalytePopulation
9%
SALICYLIC ACID serum
Homo sapiens
population: UNKNOWN
age: UNKNOWN
sex: UNKNOWN
food status: UNKNOWN
Patents

Patents

Name Type Language
CALCIUM SALICYLATE
II   INCI   WHO-DD  
INCI  
Official Name English
CALCIUM SALICYLATE [II]
Common Name English
CALCIUM SALICYLATE [INCI]
Common Name English
CALCIUM DISALICYLATE
Systematic Name English
CALCIUM SALICYLATE [WHO-DD]
Common Name English
BENZOIC ACID, 2-HYDROXY-, CALCIUM SALT (2:1)
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C257
Created by admin on Sat Jun 26 01:54:36 UTC 2021 , Edited by admin on Sat Jun 26 01:54:36 UTC 2021
Code System Code Type Description
MESH
C513091
Created by admin on Sat Jun 26 01:54:36 UTC 2021 , Edited by admin on Sat Jun 26 01:54:36 UTC 2021
PRIMARY
FDA UNII
0841QCS0DK
Created by admin on Sat Jun 26 01:54:36 UTC 2021 , Edited by admin on Sat Jun 26 01:54:36 UTC 2021
PRIMARY
NCI_THESAURUS
C77337
Created by admin on Sat Jun 26 01:54:36 UTC 2021 , Edited by admin on Sat Jun 26 01:54:36 UTC 2021
PRIMARY
EVMPD
SUB13199MIG
Created by admin on Sat Jun 26 01:54:36 UTC 2021 , Edited by admin on Sat Jun 26 01:54:36 UTC 2021
PRIMARY
ECHA (EC/EINECS)
212-525-4
Created by admin on Sat Jun 26 01:54:36 UTC 2021 , Edited by admin on Sat Jun 26 01:54:36 UTC 2021
PRIMARY
PUBCHEM
517068
Created by admin on Sat Jun 26 01:54:36 UTC 2021 , Edited by admin on Sat Jun 26 01:54:36 UTC 2021
PRIMARY
CAS
824-35-1
Created by admin on Sat Jun 26 01:54:36 UTC 2021 , Edited by admin on Sat Jun 26 01:54:36 UTC 2021
PRIMARY