(7alpha,17alpha)-7-(Acetylthio)-17-hydroxy-3-oxo-Pregn-4-ene-21-carboxylic acid gamma-lactone mixt. with 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
[CAS# 65272-36-8]

Identification

• Name: (7alpha,17alpha)-7-(Acetylthio)-17-hydroxy-3-oxo-Pregn-4-ene-21-carboxylic acid gamma-lactone mixt. with 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
• Synonyms: 3-[(7R,8R,9S,10R,13S,14S)-7-(Acetylthio)-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Propanoic Acid; 6-Chloro-1,1-Dioxo-3,4-Dihydro-2H-Benzo[E][1,2,4]Thiadiazine-7-Sulfonamide; 3-[(7R,8R,9S,10R,13S,14S)-7-(Acetylthio)-17-Hydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Propionic Acid; 6-Chloro-1,1-Diketo-3,4-Dihydro-2H-Benzo[E][1,2,4]Thiadiazine-7-Sulfonamide; 6-Chloro-1,1-Dioxo-3,4-Dihydro-2H-Benzo[E][1,2,4]Thiadiazine-7-Sulfonamide; 3-[(7R,8R,9S,10R,13S,14S)-7-Ethanoylsulfanyl-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Propanoic Acid
• Molecular Formula: C₃₁H₄₂ClN₃O₉S₃
• Molecular Weight: 732.32
• CAS Registry Number: 65272-36-8
• SMILES: [C@H]24[C@H]1[C@@](C(O)(CC1)CCC(=O)O)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)C[C@H]4SC(=O)C)C)C.C6=C5[S](=O)(=O)NCNC5=CC(=C6[S](=O)(=O)N)Cl
• InChI: 1S/C24H34O5S.C7H8ClN3O4S2/c1-14(25)30-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23,29)11-7-20(27)28;8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h12,17-19,21,29H,4-11,13H2,1-3H3,(H,27,28);1-2,10-11H,3H2,(H2,9,12,13)/t17-,18-,19+,21+,22-,23-,24?;/m0./s1
• InChIKey: HZUBVQHCBSMTIH-ATJCWOKCSA-N

Properties

• Boiling point: 618.3°C at 760 mmHg (Cal.)
• Flash point: 327.7°C (Cal.)