Prinactizide
[CAS# 76270-06-9]

Identification

• Name: Prinactizide
• Synonyms: 3-[(7R,8R,9S,10R,13S,14S)-7-Acetylsulfanyl-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; 3-(Allylsulfanylmethyl)-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-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Propanoic Acid; 3-[(Allylthio)Methyl]-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; 3-[(Allylthio)Methyl]-6-Chloro-1,1-Diketo-3,4-Dihydro-2H-Benzo[E][1,2,4]Thiadiazine-7-Sulfonamide
• Molecular Formula: C₃₅H₄₈ClN₃O₉S₄
• Molecular Weight: 818.47
• CAS Registry Number: 76270-06-9
• 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)NC(NC5=CC(=C6[S](=O)(=O)N)Cl)CSCC=C
• InChI: 1S/C24H34O5S.C11H14ClN3O4S3/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;1-2-3-20-6-11-14-8-4-7(12)9(21(13,16)17)5-10(8)22(18,19)15-11/h12,17-19,21,29H,4-11,13H2,1-3H3,(H,27,28);2,4-5,11,14-15H,1,3,6H2,(H2,13,16,17)/t17-,18-,19+,21+,22-,23-,24?;/m0./s1
• InChIKey: GWLYLZYLULTBAH-ATJCWOKCSA-N

Properties

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