AG007XRL

154127-42-1 | (4S)-4-Hydroxy-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

AG007XRL

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CAS Number	154127-42-1
Catalog Number	AG007XRL(AGN-PC-0Q6O97)
Chemical Name	(4S)-4-Hydroxy-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
EC Number	807-123-6
IUPAC Name	(4S)-4-hydroxy-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
InChI	InChI=1S/C10H16N2O6S3/c1-18-4-2-3-12-6-8(13)7-5-9(20(11,14)15)19-10(7)21(12,16)17/h5,8,13H,2-4,6H2,1H3,(H2,11,14,15)/t8-/m1/s1
InChI Key	UHIWBQIWXWWDKT-MRVPVSSYSA-N
MDL Number	MFCD09033313
Molecular Formula	C10H16N2O6S3
Molecular Weight	356.4388
SMILES	O=S(C(S1)=CC2=C1S(N(CCCOC)C[C@H]2O)(=O)=O)(N)=O
Synonyms	154127-42-1, (S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide, (S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide, (4S)-1,1-dioxide-3,4-dihydro-4-hydroxy-2-(3-Methoxypropyl)-2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonaMide, J-502439, (4S)-4-hydroxy-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide, (S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2h-thieno(3,2-e)-1,2-thiazine-6-sulfonamide 1,1-dioxide, S-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide1,1-dioxide, xide, UHIWBQIWXWWDKT-MRVPVSSYSA-N, AK-93442, Brinzolamide Related Compound A, SCHEMBL2631258, CTK4C8122, DTXSID30570261, C10H16N2O6S3, ANW-44505, MFCD09033313, ZINC22002682, AKOS015897318, ACN-031794, RL01975, AC-22720, ACM154127421, AJ-80195, AS-18650, BC221060, SC-25082, AX8167410, TC-020063, CS-0085203, FT-0652537, ST24026605, 127D421, I09-0606, I09-0609, (S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-t, (4S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-Dioxide, (4S)-4-Hydroxy-2-(3-methoxypropyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-thieno[3,2-e][1,2]thiazine-6-sulfonamide, (S)-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-4-ol-6-sulfonamide-1,1-dioxide, (S)-3,4-DIHYDRO-4-HYDROXY-2-(3-METHOXYPROPYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, (S)-4-Hydroxy-2-(3-methoxy-propyl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda*6*-thieno[3,2-e][1,2]thiazine-6-sulfonic acid amide, (S)-4-hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dio, (S)-4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide1,1-dioxide, 2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide, 3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-, 1,1-dioxide, (4S)-, 2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide,3,4-dihydro-4-hydroxy-2-(3-methoxypropyl)-, 1,1-dioxide, (4S)-, 3,4-Dihydro-4(S)-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide, 4-Hydroxy-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide, CS-O-31528, (S)-4-Hydroxy-2-(3-methoxy-propyl)-, (4S)-1,1-dioxide-3,4-dihydro-4-hydroxy-2-, A3387, X0075, (S)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-4H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide, (s)-2-(3-methoxypropyl)-3,4-dihydro-2h-thieno[3,2-e][1,2]thiazine-4-ol-6-sulfonamide-1,1- dioxide,

Complexity	567
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	356.017g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	356.426g/mol
Monoisotopic Mass	356.017g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	172A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number