(11beta)-11,17-Dihydroxy-16-Methylene-3,20-Dioxopregna-1,4-Dien-21-Yl N,N-Diethylglycinate Hydrochloride (1:1)
[CAS# 22887-42-9]

Identification

• Name: (11beta)-11,17-Dihydroxy-16-Methylene-3,20-Dioxopregna-1,4-Dien-21-Yl N,N-Diethylglycinate Hydrochloride (1:1)
• Synonyms: (11β)-11,17-dihydroxy-16-methylene-3,20-dioxopregna-1,4-dien-21-yl N,N-diethylaminoacetate hydrochloride
• Molecular Formula: C₂₈H₄₀ClNO₆
• Molecular Weight: 522.07
• CAS Registry Number: 22887-42-9
• EINECS: 245-299-0
• SMILES: Cl.CCN(CC)CC(=O)OCC(=O)[C@@]2(O)C(=C)C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C
• InChI: 1S/C28H39NO6.ClH/c1-6-29(7-2)15-24(33)35-16-23(32)28(34)17(3)12-21-20-9-8-18-13-19(30)10-11-26(18,4)25(20)22(31)14-27(21,28)5;/h10-11,13,20-22,25,31,34H,3,6-9,12,14-16H2,1-2,4-5H3;1H/t20-,21-,22-,25+,26-,27-,28-;/m0./s1
• InChIKey: CCXTYBZGIOXYJL-DYBIKGQXSA-N

Properties

• Boiling point: 659.5°C at 760 mmHg (Cal.)
• Flash point: 352.7°C (Cal.)
• Refractive index: (Cal.)