DICL_CP_0314132 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0314132

PubChem CID

1986

Molecular Formula

C₄H₆N₄O₃S₂

Molecular Weight

222.251 g/mol

Synonyms/Alias

['acetazolamide'; '59-66-5'; 'Diamox'; 'Acetamox'; 'Nephramide'; 'Glaupax'; 'N-(5-Sulfamoyl-1;3;4-thiadiazol-2-yl)acetamide'; ...['acetazolamide'; '59-66-5'; 'Diamox'; 'Acetamox'; 'Nephramide'; 'Glaupax'; 'N-(5-Sulfamoyl-1;3;4-thiadiazol-2-yl)acetamide'; 'Acetazolamid'; 'Defiltran'; 'Phonurit'; 'Donmox'; 'Edemox'; 'Didoc'; 'Diuriwas'; 'Cidamex'; 'Diacarb'; 'Diluran'; 'Dehydratin'; 'Natrionex'; 'Nephramid'; 'Diakarb'; 'Diuramid'; 'Diutazol'; 'Duiramid'; 'Eumicton'; 'Fonurit'; 'Vetamox'; 'Glupax'; 'SK-acetazolamide'; '5-Acetamido-1;3;4-thiadiazole-2-sulfonamide'; 'Acetazolamidum'; 'Acetazoleamide'; 'Acetozalamide'; 'Diureticum-holzinger'; 'Acetamidothiadiazolesulfonamide'; 'Acetazolamida'; 'Glaumox'; 'Diamox Sequels'; '4-Diamox'; 'Atenezo'; 'Carbonic Anhydrase Inhibitor No. 6063'; '2-Acetylamino-1;3;4-thiadiazole-5-sulfonamide'; 'Acetamide; N-[5-(aminosulfonyl)-1;3;4-thiadiazol-2-yl]-'; '2-Acetamido-5-sulfonamido-1;3;4-thiadiazole'; 'Acetazolamidum [INN-Latin]'; 'N-[5-(aminosulfonyl)-1;3;4-thiadiazol-2-yl]acetamide'; 'Acetazolamida [INN-Spanish]'; 'CCRIS 5811'; 'NSC 145177'; 'HSDB 3002'; '1;3;4-Thiadiazole-2-sulfonamide; 5-acetamido-'; 'Carbonic anhydrase inhibitor 6063'; 'EINECS 200-440-5'; 'UNII-O3FX965V0I'; '5-Acetamide-1;3;4-thiadiazole-2-sulfonamide'; 'N-(5-(Aminosulfonyl)-1;3;4-thiadiazol-2-yl)acetamide'; 'NSC-145177'; 'O3FX965V0I'; 'DTXSID7022544'; 'CHEBI:27690'; 'AI3-52458'; 'Acetazolamide (Standard)'; 'CHEMBL20'; 'MFCD00003105'; 'Diamox (TN)'; 'Acetamide; N-(5-sulfamoyl-1;3;4-thiadiazol-2-yl)-'; 'MLS000028435'; 'DTXCID002544'; 'Acetamide; N-(5-(aminosulfonyl)-1;3;4-thiadiazol-2-yl)-'; '5-acetylamino-1;3;4-thiadiazole-2-sulfonamide'; 'Acetazolamide [USP:INN:BAN:JAN]'; 'L 579486'; 'NSC145177'; 'CAS-59-66-5'; 'NCGC00015074-10'; 'Acetazolamine'; 'Atenezol'; 'SMR000058394'; 'Acetazolamidum (INN-Latin)'; 'Acetazolamida (INN-Spanish)'; 'ACETAZOLAMIDE (MART.)'; 'ACETAZOLAMIDE [MART.]'; 'ACETAZOLAMIDE (USP-RS)'; 'ACETAZOLAMIDE [USP-RS]'; 'N-(5-[Aminosulfonyl]-1;3;4-thiadiazol-2-yl)acetamide'; 'N-[5-(aminosulfonyl)-1;3;5-thiadiazol-2-yl]acetamide'; 'ACETAZOLAMIDE (EP IMPURITY)'; 'ACETAZOLAMIDE [EP IMPURITY]'; 'Acetazolamide (USP:INN:BAN:JAN)'; 'ACETAZOLAMIDE (EP MONOGRAPH)'; 'ACETAZOLAMIDE [EP MONOGRAPH]'; 'ACETAZOLAMIDE (USP MONOGRAPH)'; 'ACETAZOLAMIDE [USP MONOGRAPH]'; 'Acetazolamide (AAZ)'; 'SR-01000000065'; 'N-(5-(aminosulfonyl)-1;3;5-thiadiazol-2-yl)acetamide'; 'Prestwick_4'; '1azm'; '1yda'; '1ydb'; '1ydd'; '1zsb'; '2xtk'; '3czv'; '3ucj'; 'Acetazolamide; 5'; 'Acerazolamide; AAZ'; 'Acetazolamide; AAZ'; 'Acetazolamide; AZA'; 'Acetazolamide; AZM'; 'ACETAZIDE'; 'ATENAZOL'; 'Spectrum_000018'; '1jd0'; '2h4n'; '2uy4'; '3dc3'; '3hs4'; '3ml5'; '4g0c'; 'Opera_ID_288'; 'AZA2'; 'Prestwick0_000003'; 'Prestwick1_000003'; 'Prestwick2_000003'; 'Prestwick3_000003'; 'Spectrum2_000082'; 'Spectrum3_000284'; 'Spectrum4_000139'; 'Spectrum5_000738'; 'Lopac-A-6011'; 'ACETAZOLAMIDE [MI]'; 'A 6011'; 'ACETAZOLAMIDE [INN]'; 'ACETAZOLAMIDE [JAN]'; 'ACETAZOLAMIDE [HSDB]'; 'Lopac0_000039'; 'SCHEMBL23219'; 'ACETAZOLAMIDE [VANDF]'; 'BSPBio_000005'; 'BSPBio_001788'; 'KBioGR_000558'; 'KBioSS_000358'; 'MLS001148438'; 'Acetazolamide Extended-Release'; 'BIDD:GT0643'; 'DivK1c_000017'; 'SPECTRUM1500102'; 'N-(5-Sulfamoyl-[1;3;4]thiadiazol-2-yl)-acetamide'; 'SPBio_000004'; 'SPBio_001926'; 'ACETAZOLAMIDE [WHO-DD]'; 'ACETAZOLAMIDE [WHO-IP]'; 'BPBio1_000007'; 'GTPL6792'; 'Acetazolamide; >=99%; powder'; 'SCHEMBL11049053'; 'BDBM10880'; 'BZKPWHYZMXOIDC-UHFFFAOYSA-'; 'HMS500A19'; 'HY-B0782R'; 'KBio1_000017'; 'KBio2_000358'; 'KBio2_002926'; 'KBio2_005494'; 'KBio3_001288'; 'Acetazolamide (JP18/USP/INN)'; 'AMY3289'; 'S01EC01'; 'Acetazolamide; analytical standard'; 'NINDS_000017'; 'HMS1568A07'; 'HMS1920A05'; 'HMS2091G05'; 'HMS2095A07'; 'HMS2232G23'; 'HMS3259I13'; 'HMS3260G19'; 'HMS3370P01'; 'HMS3712A07'; 'HMS3744A21'; 'Pharmakon1600-01500102'; 'WLN: T5NN DSJ CSZW EMV1'; 'ACETAZOLAMIDE [ORANGE BOOK]'; 'ALBB-023617'; 'BCP29616'; 'HY-B0782'; 'Tox21_110078'; 'Tox21_201559'; 'Tox21_302773'; 'Tox21_500039'; 'CCG-38900'; 'NSC755854'; 's4506'; 'ACETAZOLAMIDUM [WHO-IP LATIN]'; 'AKOS000715163'; 'Tox21_110078_1'; 'CS-3568'; 'DB00819'; 'LP00039'; 'NC00491'; 'NSC-755854'; 'SDCCGSBI-0050028.P005'; 'IDI1_000017'; 'NCGC00015074-01'; 'NCGC00015074-02'; 'NCGC00015074-03'; 'NCGC00015074-04'; 'NCGC00015074-05'; 'NCGC00015074-06'; 'NCGC00015074-07'; 'NCGC00015074-08'; 'NCGC00015074-09'; 'NCGC00015074-11'; 'NCGC00015074-12'; 'NCGC00015074-14'; 'NCGC00015074-15'; 'NCGC00015074-17'; 'NCGC00015074-22'; 'NCGC00023455-03'; 'NCGC00023455-04'; 'NCGC00023455-05'; 'NCGC00023455-06'; 'NCGC00023455-07'; 'NCGC00256374-01'; 'NCGC00259108-01'; 'NCGC00260724-01'; 'AC-12779'; 'AS-13169'; 'SBI-0050028.P004'; '2-Acetamido-5-sulfonamido-1;4-thiadiazole'; '5-Acetamide-1;4-thiadiazole-2-sulfonamide'; 'DB-053437'; '5-Acetamido-1;3;4-thiadiazol-2-sulfonamide'; 'AB00051906'; 'CS-0694998'; 'EU-0100039'; 'NS00008947'; '1;4-Thiadiazole-2-sulfonamide; 5-acetamido-'; 'CARBONIC ANHYDRASE INHIBITOR NO 6063'; 'C06805'; 'D00218'; 'D88526'; 'EN300-119493'; 'AB00051906_15'; 'A832415'; 'N-(5-sulfamoyl-1;3;4-thiadiazol-2-yl)ethanamide'; 'Q413690'; 'Q-200579'; 'Q-200580'; 'SR-01000000065-2'; 'SR-01000000065-4'; 'SR-01000000065-6'; '1;3;4-THIADIAZOLE-2-SULFONAMIDE; 5-ACETAMIDO'; '2-ACETAMIDO-1;3;4-THIADIAZOLE-5-SULFONAMIDE'; 'BRD-K43457670-001-22-9'; 'BRD-K43457670-001-26-0'; 'BRD-K43457670-001-27-8'; 'Z277559108'; '(1z)-N-(5-sulfamoyl-1;3;4-thiadiazol-2-yl)ethanimidic acid'; 'Acetazolamide; European Pharmacopoeia (EP) Reference Standard'; 'Acetazolamide; United States Pharmacopeia (USP) Reference Standard'; 'Acetazolamide for system suitability; European Pharmacopoeia (EP) Reference Standard'; 'Acetazolamide; Pharmaceutical Secondary Standard; Certified Reference Material'; '124442-28-0'; '5-Acetamido-1;3;4-thiadiazole-2-sulfonamide;N-(5-[Aminosulfonyl]-1;3;4-thiadiazol-2-yl)acetamide;N-(5-Sulfamoyl-1;3;4-thiadiazol-2-yl)acetamide'; 'InChI=1/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5;10)11/h1H3;(H2;5;10;11)(H;6;7;9)']

InChI Key

BZKPWHYZMXOIDC-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)

IUPAC Name

N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

CAS Number

59-66-5

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

19 19 0 0 0 0 0 0 0 0999 V2000
4.2714 -0.4757 0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8822 -0.5950 -0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6649 -1.335...

Download SDF File (1654 bytes)

Experimental Data

Activity Data

Target Ion Channel

Aquaporin-1

Uniprot Accession Number

P29972

Function

Blocker

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: 5500 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.5

Holding Potential

Not specified

Temperature

Not mention

Test Method

Swelling Assay

Test Species

Xenopus laevis Oocyte

Binding Information

Binding Site

Extracellular domain

Binding Site Residue

Lys36

Disease Information

Related Disease

Not specified

References

DOI

10.1021/cb300153z

URL

N/A (Not available)

PMID

23113556

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

-0.8561

Complexity

45.5859

TPSA (Å²)

115.04

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties