(3R)-1-[(20S)-20-(Dimethylamino)-4-Oxo-5alpha-Pregnan-3beta-Yl]-3-Isopropylazetidin-2-One
[CAS# 6156-99-6]

Identification

• Name: (3R)-1-[(20S)-20-(Dimethylamino)-4-Oxo-5alpha-Pregnan-3beta-Yl]-3-Isopropylazetidin-2-One
• Synonyms: (3R)-1-[(3S,5R,8S,9S,10R,13S,14S,17R)-17-(1-Dimethylaminoethyl)-10,13-Dimethyl-4-Oxo-1,2,3,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]-3-Isopropyl-Azetidin-2-One; (3R)-1-[(3S,5R,8S,9S,10R,13S,14S,17R)-17-(1-Dimethylaminoethyl)-10,13-Dimethyl-4-Oxo-1,2,3,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]-3-Isopropyl-2-Azetidinone; (3R)-1-[(3S,5R,8S,9S,10R,13S,14S,17R)-17-(1-Dimethylaminoethyl)-4-Keto-10,13-Dimethyl-1,2,3,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl]-3-Isopropyl-Azetidin-2-One
• Molecular Formula: C₂₉H₄₈N₂O₂
• Molecular Weight: 456.71
• CAS Registry Number: 6156-99-6
• SMILES: [C@@H]13[C@H]([C@H]2[C@](CC1)([C@@H](CC2)C(N(C)C)C)C)CC[C@@H]4[C@@]3(CC[C@@H](C4=O)N5C([C@@H](C5)C(C)C)=O)C
• InChI: 1S/C29H48N2O2/c1-17(2)20-16-31(27(20)33)25-13-15-29(5)23-12-14-28(4)21(18(3)30(6)7)10-11-22(28)19(23)8-9-24(29)26(25)32/h17-25H,8-16H2,1-7H3/t18?,19-,20-,21-,22-,23-,24-,25-,28+,29+/m0/s1
• InChIKey: MHFGHEARXPBTQH-PTKYFECBSA-N

Properties

• Density: 1.06g/cm³ (Cal.)
• Boiling point: 560.743°C at 760 mmHg (Cal.)
• Flash point: 207.48°C (Cal.)