ISALSTEINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	MIXED
Molecular Formula	C14H15NO6S
Molecular Weight	325.337
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISALSTEINE

Structure Search

SMILES

CC(SC1(C)OC(=O)C2=CC=CC=C2O1)C(=O)NCC(O)=O

InChI

InChIKey=DXSXAJGKYKXYMX-UHFFFAOYSA-N

InChI=1S/C14H15NO6S/c1-8(12(18)15-7-11(16)17)22-14(2)20-10-6-4-3-5-9(10)13(19)21-14/h3-6,8H,7H2,1-2H3,(H,15,18)(H,16,17)

HIDE SMILES / InChI

Molecular Formula	C14H15NO6S
Molecular Weight	325.337
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://apps.who.int/medicinedocs/documents/h5785e/h5785e.pdf

ISALSTEINE is a mucolytic agent.

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:27:59 GMT 2025` Edited by `admin` on `Mon Mar 31 18:27:59 GMT 2025`
Record UNII	K0YPY57FUQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISALSTEINE

Official Name

English

isalsteine [INN]

Preferred Name

English

(±)-N-(2-((2-METHYL-4-OXO-1,3-BENZODIOXAN-2-YL)THIO)PROPIONYL)GLYCINE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C74536

Created by admin on Mon Mar 31 18:27:59 GMT 2025 , Edited by admin on Mon Mar 31 18:27:59 GMT 2025

Code System Code Type Description

CAS

116818-99-6

Created by admin on Mon Mar 31 18:27:59 GMT 2025 , Edited by admin on Mon Mar 31 18:27:59 GMT 2025

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INN

6639

Created by admin on Mon Mar 31 18:27:59 GMT 2025 , Edited by admin on Mon Mar 31 18:27:59 GMT 2025

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PUBCHEM

3038474

Created by admin on Mon Mar 31 18:27:59 GMT 2025 , Edited by admin on Mon Mar 31 18:27:59 GMT 2025

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ChEMBL

CHEMBL2104804

Created by admin on Mon Mar 31 18:27:59 GMT 2025 , Edited by admin on Mon Mar 31 18:27:59 GMT 2025

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NCI_THESAURUS

C65967

Created by admin on Mon Mar 31 18:27:59 GMT 2025 , Edited by admin on Mon Mar 31 18:27:59 GMT 2025

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SMS_ID

100000083358

Created by admin on Mon Mar 31 18:27:59 GMT 2025 , Edited by admin on Mon Mar 31 18:27:59 GMT 2025

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EVMPD

SUB08302MIG

Created by admin on Mon Mar 31 18:27:59 GMT 2025 , Edited by admin on Mon Mar 31 18:27:59 GMT 2025

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FDA UNII

K0YPY57FUQ

Created by admin on Mon Mar 31 18:27:59 GMT 2025 , Edited by admin on Mon Mar 31 18:27:59 GMT 2025

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EPA CompTox

DTXSID10869605

Created by admin on Mon Mar 31 18:27:59 GMT 2025 , Edited by admin on Mon Mar 31 18:27:59 GMT 2025

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