AG00IMF7

2259-96-3 | 2H-1,2,4-Benzothiadiazine-7-sulfonamide,3-bicyclo[2.2.1]hept-5-en-2-yl-6-chloro-3,4-dihydro-, 1,1-dioxide

AG00IMF7

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CAS Number	2259-96-3
Catalog Number	AG00IMF7(AGN-PC-0QZ7BG)
Chemical Name	2H-1,2,4-Benzothiadiazine-7-sulfonamide,3-bicyclo[2.2.1]hept-5-en-2-yl-6-chloro-3,4-dihydro-, 1,1-dioxide
EC Number	218-859-7
IUPAC Name	3-(2-bicyclo[2.2.1]hept-5-enyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide
InChI	InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)
InChI Key	BOCUKUHCLICSIY-UHFFFAOYSA-N
MDL Number	MFCD00210192
Molecular Formula	C14H16ClN3O4S2
Molecular Weight	389.8775
NSC Number	758431
SMILES	O=S1(C2=CC(=C(C=C2NC(N1)C1CC2C=CC1C2)Cl)S(=O)(=O)N)=O
UNII	P71U09G5BW
Synonyms	cyclothiazide, cyclothiazide, Anhydron, Aquirel, 2259-96-3, Renazide, Valmiran, Doburil, Fluidil, Ciclotiazida, Ciclotiazide, Cyclothiazidum, Ciclotiazide [DCIT], Ciclotiazida [INN-Spanish], Cyclothiazidum [INN-Latin], MDi 193, Lilly 35,483, UNII-P71U09G5BW, HSDB 3310, 6-Chloro-3,4-dihydro-3-(5-norbornen-2-yl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, EINECS 218-859-7, BRN 0722843, CHEMBL61593, 6-Chloro-3,4-dihydro-3-(2-norbornen-5-yl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, 6-Chloro-3,4-dihydro-3-(2-norbornen-5-yl)-7-sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide, 6-Chloro-3-(2-norbornen-5-yl)-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide, P71U09G5BW, 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-(5-norbornen-2-yl)-, 1,1-dioxide, CHEBI:31448, BOCUKUHCLICSIY-UHFFFAOYSA-N, 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-bicyclo(2.2.1)hept-5-en-2-yl-6-chloro-3,4-dihydro-, 1,1-dioxide, 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-bicyclo[2.2.1]hept-5-en-2-yl-6-chloro-3,4-dihydro-, 1,1-dioxide, 3-(bicyclo[2.2.1]hept-5-en-2-yl)-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, 3-Bicyclo(2.2.1)hept-5-en-2-yl-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, NCGC00015288-06, DSSTox_CID_2871, 6-Chloro-3,4-dihydro-3-(norbornen-2-yl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, DSSTox_RID_76767, DSSTox_GSID_22871, 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,4-dihydro-6-chloro-3-(5-norbornen-2-yl)-, 1,1-dioxide, 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3,4-dihydro-6-chloro-3-(5-norbornen-2-yl)-,1,1-dioxide, Anhydron (TN), 3-Bicyclo[2.2.1]hept-5-en-2-yl-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, 6-Chloro-3,4-dihydro-3-(5-norbornen-2-yl)-2H-1,2,4-benzothiazidiazine-7-sulfonamide-1,1-dioxide, CAS-2259-96-3, Cyclothiazide [USAN:INN:BAN], SR-01000075796, 6-Chloro-3,4-dihydro-3-(2-norbornen-5-yl)-2H-1,2-4-benzothiadiazine-7-sulfonamide 1,1-dioxide, Cyclothiazide (JAN/USAN/INN), 3-(5-bicyclo[2.2.1]hept-2-enyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1?^{6},2,4-benzothiadiazine-7-sulfonamide, Cyclothiazide [USAN:USP:INN:BAN], AC1L1EQZ, Spectrum4_000050, Spectrum5_001639, Lilly 35483, Biomol-NT_000224, C 9847, AC1Q6TQ1, Lopac0_000321, KBioGR_000519, MLS001077326, DivK1c_000904, SCHEMBL121096, BPBio1_001320, GTPL4167, DTXSID3022871, HMS502N06, KBio1_000904, NINDS_000904, Cyclothiazide (mixture of isomers), HMS2093A19, HMS2236K04, HMS3261A03, HMS3266L17, HMS3373E04, HMS3675D03, Pharmakon1600-01503263, Tox21_110124, Tox21_500321, BDBM50192229, NSC758431, AKOS024458615, Tox21_110124_1, CCG-204416, DB00606, LP00321, NSC-758431, IDI1_000904, NCGC00015288-04, NCGC00015288-05, NCGC00015288-07, NCGC00015288-09, NCGC00022985-02, NCGC00024745-02, NCGC00024745-03, NCGC00024745-04, NCGC00261006-01, 6-chloro-3,4-dihydro-3-(norbornen-2-yl)-2H-1,2,4- benzothiadiazine-7-sulfonamide 1,1-dioxide, BC251589, LS-40445, SMR000653479, SBI-0050309.P003, EU-0100321, FT-0665417, C12685, D01256, AB00053281_04, J-014778, SR-01000075796-1, SR-01000075796-3, SR-01000075796-4, BRD-A38675539-001-01-0, BRD-A38675539-001-05-1, 2H-1,2,4-Benzothiadiazine-7-sulfonamide,3-bicyclo[2.2.1]hept-5-en-2-yl-6-chloro-3,4-dihydro-, 1,1-dioxide, 3-{bicyclo[2.2.1]hept-5-en-2-yl}-6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l;{6},2,4-benzothiadiazine-7-sulfonamide, 3-{bicyclo[2.2.1]hept-5-en-2-yl}-6-chloro-1,1-dioxo-3,4-dihydro-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide, 3-Bicyclo[2.2.1]hept-5-en-2-yl-6-chloro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-benzo[1,2,4]thiadiazine-7-sulfonic acid amide, 3-Bicyclo[2.2.1]hept-5-en-2-yl-6-chloro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-benzo[1,2,4]thiadiazine-7-sulfonic acid amide(Clothiazide), 3-Bicyclo[2.2.1]hept-5-en-2-yl-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide #, 3-Bicyclo[2.2.1]hept-5-en-2-yl-7-chloro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-benzo[1,2,4]thiadiazine-6-sulfonic acid amide, C14H16ClN3O4S2, D03CNS, Cyclothiazide [USAN:BAN:INN], CID2910, AR-1E7381, C14-H16-Cl-N3-O4-S2, C3392, C004639, 3-(5-bicyclo[2.2.1]hept-2-enyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1, 96027-62-2,

Complexity	758
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	389.027g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	389.869g/mol
Monoisotopic Mass	389.027g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	135A^2
Undefined Atom Stereocenter Count	4
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number