ACESULFAME CALCIUM

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C4H4NO4S.Ca
Molecular Weight	364.366
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ACESULFAME CALCIUM

Structure Search

SMILES

[Ca++].CC1=CC([O-])=NS(=O)(=O)O1.CC2=CC([O-])=NS(=O)(=O)O2

InChI

InChIKey=BSGNIBMMMFYKOB-UHFFFAOYSA-L

InChI=1S/2C4H5NO4S.Ca/c2*1-3-2-4(6)5-10(7,8)9-3;/h2*2H,1H3,(H,5,6);/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	C4H5NO4S
Molecular Weight	163.152
Charge	0
Count

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

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Carbonic anhydrase IX 36 Target ID: CHEMBL3594 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25019479	Inhibitor 8504		2.41 µM [IC50]

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:00:21 GMT 2025` Edited by `admin` on `Mon Mar 31 19:00:21 GMT 2025`
Record UNII	713X54F8SW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACESULFAME CALCIUM

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID50968888

Created by admin on Mon Mar 31 19:00:21 GMT 2025 , Edited by admin on Mon Mar 31 19:00:21 GMT 2025

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CAS

54054-83-0

Created by admin on Mon Mar 31 19:00:21 GMT 2025 , Edited by admin on Mon Mar 31 19:00:21 GMT 2025

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FDA UNII

713X54F8SW

Created by admin on Mon Mar 31 19:00:21 GMT 2025 , Edited by admin on Mon Mar 31 19:00:21 GMT 2025

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ECHA (EC/EINECS)

258-938-3

Created by admin on Mon Mar 31 19:00:21 GMT 2025 , Edited by admin on Mon Mar 31 19:00:21 GMT 2025

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PUBCHEM

6452935

Created by admin on Mon Mar 31 19:00:21 GMT 2025 , Edited by admin on Mon Mar 31 19:00:21 GMT 2025

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