BENZOYLPAS CALCIUM ANHYDROUS

US Previously Marketed

First approved in 1956

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C14H10NO4.Ca
Molecular Weight	552.545
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZOYLPAS CALCIUM ANHYDROUS

Structure Search

SMILES

[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=XJUXBRCZUUHSKU-UHFFFAOYSA-L

InChI=1S/2C14H11NO4.Ca/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);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula	C14H10NO4
Molecular Weight	256.2335
Charge	-1
Count

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

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

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
[Comparative study of the tolerance of orally administered PAS-calcium and benzoyl-PAS-calcium in therapy of pulmonary tuberculosis].	1958	13602780

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 18:54:29 GMT 2023` Edited by `admin` on `Fri Dec 15 18:54:29 GMT 2023`
Record UNII	595178KF31
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZOYLPAS CALCIUM ANHYDROUS

Common Name

English

CALCIUM BENZAMIDOSALICYLATE

Official Name

English

CALCIUM BENZOYLAS

Common Name

English

calcium benzamidosalicylate [INN]

Common Name

English

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

Common Name

English

CALCIUM BENZOYLPAS

Common Name

English

NSC-403765

Code

English

CALCIUM 4-BENZAMIDOSALICYLATE (1:2)

Systematic Name

English

Calcium benzamidosalicylate [WHO-DD]

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

208-445-4