Tensigradyl structure

Tensigradyl

bis(6-chloro-1,1-dioxo-3-(1-phenylethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide);bis(2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine);sulfuric acid

Also Known As: Tensigradyl|Spiro[cholestane-6,1'-cyclopropane](9CI)|6-chloro-1,1-dioxo-3-(1-phenylethyl)-3,4-dihydro-2H-1|2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-(1-phenylethyl)-, 1,1-dioxide, mixt. with ((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)guanidine sulfate (2:1)|6-chloro-1,1-dioxo-3-(1-phenylethyl)-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide;2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine;sulfuric acid|6-chloro-1,1-dioxo-3-(1-phenylethyl)-3,4-dihydro-2h-benzo[e][1,2,4]thiadiazine-7-sulfonamide; 2-(2,3-dihydro-1,4-benzodioxin-7-ylmethyl)guanidine; sulfuric acid|6-chloro-1,1-dioxo-3-(1-phenylethyl)-3,4-dihydro-2H-benzo[e][1,2, 4]thiadiazine-7-sulfonamide, 2-(2,3-dihydro-1,4-benzodioxin-7-ylm ethyl)guanidine, sulfuric acid

CAS: 73090-69-4
Molecular Formula C50H60Cl2N12O16S5
Molecular Weight 1314.2231 g/mol
LogP 3.4516
Topological Polar Surface Area 519.0 Ų
Hydrogen Bond Donors 12
Hydrogen Bond Acceptors 24
Rotatable Bonds 10
Exact Mass 1314.2231
Monoisotopic Mass 1314.2231
Heavy Atoms 85
Complexity 1000.0

Chemical Identifiers

CAS Number 73090-69-4
SMILES CC(C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl)C3=CC=CC=C3.CC(C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl)C3=CC=CC=C3.C1COC2=C(O1)C=CC(=C2)CN=C(N)N.C1COC2=C(O1)C=CC(=C2)CN=C(N)N.OS(=O)(=O)O
InChIKey HVJMJJNLJJQPJB-UHFFFAOYSA-N

Product Overview

Tensigradyl (CAS 73090-69-4), with molecular formula C50H60Cl2N12O16S5 and molecular weight 1314.2231 g/mol. IUPAC: bis(6-chloro-1,1-dioxo-3-(1-phenylethyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide);bis(2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)guanidine);sulfuric acid.

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