AG00DEXN

Name: 6-CHLORO-3,4-DIHYDRO-3-[(2-PROPENYLTHIO)METHYL]-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE
Brand: Angene Chemical
SKU: AG00DEXN

5588-16-9 | 6-CHLORO-3,4-DIHYDRO-3-[(2-PROPENYLTHIO)METHYL]-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE

Chemical structure of 6-CHLORO-3,4-DIHYDRO-3-[(2-PROPENYLTHIO)METHYL]-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE, CAS 5588-16-9

AG00DEXN

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CAS Number	5588-16-9
Catalog Number	AG00DEXN(AGN-PC-0SJUFY)
Chemical Name	6-CHLORO-3,4-DIHYDRO-3-[(2-PROPENYLTHIO)METHYL]-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE
EC Number	226-994-8
IUPAC Name	6-chloro-1,1-dioxo-3-(prop-2-enylsulfanylmethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
InChI	InChI=1S/C11H14ClN3O4S3/c1-2-3-20-6-11-14-8-4-7(12)9(21(13,16)17)5-10(8)22(18,19)15-11/h2,4-5,11,14-15H,1,3,6H2,(H2,13,16,17)
InChI Key	VGLGVJVUHYTIIU-UHFFFAOYSA-N
MDL Number	MFCD00063558
Molecular Formula	C11H14ClN3O4S3
Molecular Weight	383.8946
NSC Number	757786
SMILES	S1(=O)(=O)C2=CC(S(N)(=O)=O)=C(Cl)C=C2NC(CSCC=C)N1
Synonyms	3-((allylthio)methyl)-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide-1,1-dioxide, althiazide, altizide, altozide, althiazide, Altizide, 5588-16-9, UNII-D9KLS88BLV, UNII-JI3ZO158IN, Althiazide [USAN], D9KLS88BLV, JI3ZO158IN, 6-CHLORO-3,4-DIHYDRO-3-[(2-PROPENYLTHIO)METHYL]-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1-DIOXIDE, Altizide (INN), Altizide [INN], Althiazide (USAN), NCGC00094855-01, Altizida, P-1779, DSSTox_CID_25857, DSSTox_RID_81178, DSSTox_GSID_45857, Althizide, Altizid, Altizidum, 2H-1,2,4-Benzothiadiazine-7-sulfonamide,6-chloro-3,4-dihydro-3-[(2-propen-1-ylthio)methyl]-, 1,1-dioxide, 3-((Allylthio)methyl)-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, 3-((Allylthio)methyl)-6-chloro-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxide, 3-[(Allylthio)methyl]-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-Dioxide, (+)-Altizide, (-)-Altizide, Altizide, (+)-, Altizide, (-)-, Altizidum [INN-Latin], SR-05000001753, Altizida [INN-Spanish], Prestwick_43, CAS-5588-16-9, EINECS 226-994-8, CB 8093, Spectrum_001104, SpecPlus_000833, AC1L1CYU, Prestwick0_000721, Prestwick1_000721, Prestwick2_000721, Prestwick3_000721, Spectrum2_001367, Spectrum3_000902, Spectrum4_000999, Spectrum5_001725, P 1779, AC1Q6TQ5, BSPBio_000642, KBioGR_001437, KBioSS_001584, MLS002153973, DivK1c_001031, DivK1c_006929, SCHEMBL124525, SPECTRUM1500804, SPBio_001294, SPBio_002581, BPBio1_000708, CHEMBL599870, DTXSID3045857, CHEBI:91768, CTK5A4322, HMS503O03, KBio1_001031, KBio1_001873, KBio2_001584, KBio2_004152, KBio2_006720, KBio3_001844, NINDS_001031, HMS1570A04, HMS1921I12, HMS2092K18, HMS2097A04, HMS2233O21, HMS3373K04, HMS3714A04, Pharmakon1600-01500804, Tox21_111347, CCG-38982, NSC757786, AKOS027381757, Tox21_111347_1, AN-6778, API0007933, NSC-757786, 3-Allylthiomethyl-6-chlor-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-sulfonamid 1,1-dioxid, IDI1_001031, SMP1_000012, NCGC00094855-02, NCGC00094855-03, NCGC00094855-06, 133562-97-7, 133585-76-9, 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-((2-propen-1-ylthio)methyl)-, 1,1-dioxide, (+)-, 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-((2-propen-1-ylthio)methyl)-, 1,1-dioxide, (-)-, 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-((2-propenylthio)methyl)-, 1,1-dioxide, 3-[(allylsulfanyl)methyl]-6-chloro-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, CC-24032, SC-97384, SMR001233310, SBI-0052594.P002, AB00053099, FT-0635778, D02838, AB00053099_08, C-25724, SR-05000001753-1, SR-05000001753-3, BRD-A56675431-001-04-0, BRD-A56675431-001-07-3, Altizide, European Pharmacopoeia (EP) Reference Standard, 6-chloro-1,1-dioxo-3-(prop-2-enylsulfanylmethyl)-3,4-dihydro-2H-1, 6-Chloro-3,4-dihydro-3-((2-propenylthio)methyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide, 3-(allylsulfanylmethyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide, 6-chloro-1,1-dioxo-3-(prop-2-enylsulfanylmethyl)-3,4-dihydro-2H-1?^{6},2,4-benzothiadiazine-7-sulfonamide, 6-chloro-1,1-dioxo-3-[(prop-2-enylthio)methyl]-3,4-dihydro-2H-1$l;{6},2,4-benzothiadiazine-7-sulfonamide, 6-Chloro-3,4-dihydro-3-[(2-propen-1-ylthio)methyl]-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-Dioxide, Aldactazine, racemic althiazide, UNII-GI8CB72B0D, GI8CB72B0D, C11H14ClN3O4S3, CID2122, AR-1F0708, C11-H14-Cl-N3-O4-S3, 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-[(allylthio)methyl]-6-chloro-3,4-dihydro-, 1,1-dioxide, 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[(2-propenylthio)methyl]-, 1,1-dioxide, 5749-48-4,

Complexity	614
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	382.983g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	383.88g/mol
Monoisotopic Mass	382.983g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	160A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited

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