4,4-Bis(Acetylsarcosyl)Synestrol
[CAS# 91147-86-3]

Identification

• Name: 4,4-Bis(Acetylsarcosyl)Synestrol
• Synonyms: (2S)-2-[Acetyl-[4-[(E,1E)-2-[4-[Acetyl-[(1S)-1-[[4-[Bis(2-Chloroethyl)Amino]Phenyl]Methyl]-2-Hydroxy-2-Oxo-Ethyl]Amino]Phenyl]-1-Ethylidene-But-2-Enyl]Phenyl]Amino]-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoic Acid; (2S)-2-[Acetyl-[4-[(E,1E)-2-[4-[Acetyl
• Molecular Formula: C₄₈H₅₄Cl₄N₄O₆
• Molecular Weight: 924.79
• CAS Registry Number: 91147-86-3
• SMILES: [C@H](C(=O)O)(N(C3=CC=C(C(/C(=C/C)C1=CC=C(C=C1)N([C@H](C(=O)O)CC2=CC=C(C=C2)N(CCCl)CCCl)C(=O)C)=C\C)C=C3)C(=O)C)CC4=CC=C(C=C4)N(CCCl)CCCl
• InChI: 1S/C48H54Cl4N4O6/c1-5-43(37-11-19-41(20-12-37)55(33(3)57)45(47(59)60)31-35-7-15-39(16-8-35)53(27-23-49)28-24-50)44(6-2)38-13-21-42(22-14-38)56(34(4)58)46(48(61)62)32-36-9-17-40(18-10-36)54(29-25-51)30-26-52/h5-22,45-46H,23-32H2,1-4H3,(H,59,60)(H,61,62)/b4
• InChIKey: WBDUNKZFMFLSMW-ZNKUYNKLSA-N

Properties

• Density: 1.308g/cm³ (Cal.)
• Boiling point: 996.883°C at 760 mmHg (Cal.)
• Flash point: 556.695°C (Cal.)