BENZOYLPAS CALCIUM

US Previously Marketed

First approved in 1956

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C14H10NO4.Ca.5H2O
Molecular Weight	642.621
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.O.O.O.[Ca++].OC1=C(C=CC(NC(=O)C2=CC=CC=C2)=C1)C([O-])=O.OC3=C(C=CC(NC(=O)C4=CC=CC=C4)=C3)C([O-])=O

InChI

InChIKey=YTLKYIUZFLBDCC-UHFFFAOYSA-L

InChI=1S/2C14H11NO4.Ca.5H2O/c2*16-12-8-10(6-7-11(12)14(18)19)15-13(17)9-4-2-1-3-5-9;;;;;;/h2*1-8,16H,(H,15,17)(H,18,19);;5*1H2/q;;+2;;;;;/p-2

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C14H11NO4
Molecular Weight	257.2414
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/13602780 | https://www.ncbi.nlm.nih.gov/pubmed/13411427

Benzoylpas (more known as calcium benzoyl-PAS) is a benzoic acid-modified form of para-aminosalicylate, used to treat pulmonary tuberculosis.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
pulmonary tuberculosis 3 Sources: https://www.ncbi.nlm.nih.gov/pubmed/13602780	Primary		Not Provided 504	Unknown Approved Use Unknown

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY521178	https://www.001chemical.com/chem/13898-58-3
Ambinter	Amb1115373	http://www.ambinter.com/reference/1115373
Aurora Fine Chemicals LLC	K04.638.851	http://online.aurorafinechemicals.com/info?ID=K04.638.851
Chemspace	CSSS00000512153	https://chem-space.com/CSSS00000512153
Debye Scientific	DA-10862	http://www.debyesci.com/cas_13898-58-3.html
Enamine	Z970066096	https://www.enaminestore.com/catalog/Z970066096
Finetech	FT-0730592	http://www.finetechnology-ind.com/prod/detail/pub/13898-58-3.html
Molcore	MC521178	https://www.molcore.com/product/13898-58-3
Smolecule	S591889	https://www.smolecule.com/products/s591889
THE BioTek	bt-436190	https://www.thebiotek.com/product/others/bt-436190
mcule	MCULE-3313985631	https://mcule.com/MCULE-3313985631/

PubMed

Title	Date	PubMed
Calcium benzoyl PAS: report of a clinical trial.	1957 Apr	13411427
[Stability of benzoyl-PAS and benzoyl-PAS calcium salt].	1957 Jan	13412564
[Comparative study of the tolerance of orally administered PAS-calcium and benzoyl-PAS-calcium in therapy of pulmonary tuberculosis].	1958	13602780
The tolerability of calcium benzoyl-PAS and calcium PAS; a double blind study.	1959 Mar	13627443
[Comparison of 3 antitubercular therapeutic programs comprising isoniazid with 4,4'-diisoamyloxythiocarbanilide. streptomycin and calcium-benzoyl-PAS].	1963 Jan-Feb	14010281
[Comparative results of treatment of pulmonary tuberculosis with the compounds of benzoyl-PAS-Ca-isoniazide and streptomycin-isoniazid].	1969 Feb 1	4974643

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:37:09 GMT 2023` Edited by `admin` on `Fri Dec 15 15:37:09 GMT 2023`
Record UNII	DX586KL1YX
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENZOYLPAS CALCIUM

Official Name

English

BENZOIC ACID, 4-(BENZOYLAMINO)-2-HYDROXY-, CALCIUM SALT (2:1) PENTAHYDRATE

Common Name

English

BENZOYLPAS CALCIUM SALT PENTAHYDRATE

Common Name

English

BENZOYLPAS CALCIUM SALT PENTAHYDRATE [MI]

Common Name

English

Calcium 4-benzamidosalicylate (1:2) pentahydrate

Common Name

English

BENZOYLPAS CALCIUM [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C280