XANOXATE SODIUM

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H13O5.Na
Molecular Weight	320.2719
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of XANOXATE SODIUM

Structure Search

SMILES

[Na+].CC(C)OC1=CC2=C(OC3=C(C=C(C=C3)C([O-])=O)C2=O)C=C1

InChI

InChIKey=BOKNZRWXKMUXII-UHFFFAOYSA-M

InChI=1S/C17H14O5.Na/c1-9(2)21-11-4-6-15-13(8-11)16(18)12-7-10(17(19)20)3-5-14(12)22-15;/h3-9H,1-2H3,(H,19,20);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

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

Molecular Formula	C17H13O5
Molecular Weight	297.2821
Charge	-1
Count

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

Description
Sources: Ganellin C.R.,Triggle David J., Dictionary of Pharmacological Agents, p. 601 retrieved from: https://books.google.ru/books?id=Z_mfTTIApVEC&pg=PA601&lpg=PA601&dq=XANOXIC+ACID&source=bl&ots=EtGIIrNMyX&sig=ACfU3U1G_eUFQHPZG3vQXRIhcYxwm-pz_Q&hl=ru&sa=X&ved=2ahUKEwjx5di84rLjAhWIysQBHTWeCD44ChDoATACegQIBRAB#v=onepage&q=XANOXIC%20ACID&f=false

Xanoxic acid was developed as a bronchodilator that has never been marketed. Information about the current use of this agent is not available.

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 17:52:04 GMT 2025` Edited by `admin` on `Mon Mar 31 17:52:04 GMT 2025`
Record UNII	WAS1IG4146
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

XANOXATE SODIUM

Official Name

English

RS-6818

Preferred Name

English

XANOXATE SODIUM [MART.]

Common Name

English

XANOXATE SODIUM [USAN]

Common Name

English

7-ISOPROPOXY-9-OXOXANTHENE-2-CARBOXYLATE SODIUM

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29714

Created by admin on Mon Mar 31 17:52:04 GMT 2025 , Edited by admin on Mon Mar 31 17:52:04 GMT 2025

Code System Code Type Description

ChEMBL

CHEMBL2104439

Created by admin on Mon Mar 31 17:52:04 GMT 2025 , Edited by admin on Mon Mar 31 17:52:04 GMT 2025

PRIMARY

NCI_THESAURUS

C80962

Created by admin on Mon Mar 31 17:52:04 GMT 2025 , Edited by admin on Mon Mar 31 17:52:04 GMT 2025

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SMS_ID

300000055447

Created by admin on Mon Mar 31 17:52:04 GMT 2025 , Edited by admin on Mon Mar 31 17:52:04 GMT 2025

PRIMARY

PUBCHEM

23681192

Created by admin on Mon Mar 31 17:52:04 GMT 2025 , Edited by admin on Mon Mar 31 17:52:04 GMT 2025

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EPA CompTox

DTXSID40194078

Created by admin on Mon Mar 31 17:52:04 GMT 2025 , Edited by admin on Mon Mar 31 17:52:04 GMT 2025

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CAS

41147-04-0

Created by admin on Mon Mar 31 17:52:04 GMT 2025 , Edited by admin on Mon Mar 31 17:52:04 GMT 2025

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FDA UNII

WAS1IG4146

Created by admin on Mon Mar 31 17:52:04 GMT 2025 , Edited by admin on Mon Mar 31 17:52:04 GMT 2025

PRIMARY

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