1-(2-Chloroethyl)-1-Nitrosocarbamoylalanine Estradiol-17-Ester
[CAS# 93398-55-1]

Identification

• Name: 1-(2-Chloroethyl)-1-Nitrosocarbamoylalanine Estradiol-17-Ester
• Synonyms: (3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl) 2-[(2-Chloroethyl-Nitroso-Carbamoyl)Amino]Propanoate; 2-[[(2-Chloroethyl-Nitrosoamino)-Oxomethyl]Amino]Propanoic Acid (3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Dec
• Molecular Formula: C₂₄H₃₂ClN₃O₅
• Molecular Weight: 477.99
• CAS Registry Number: 93398-55-1
• SMILES: C1=C(C=C2C(=C1)C3C(CC2)C4C(CC3)(C(CC4)OC(=O)C(C)NC(=O)N(N=O)CCCl)C)O
• InChI: 1S/C24H32ClN3O5/c1-14(26-23(31)28(27-32)12-11-25)22(30)33-21-8-7-20-19-5-3-15-13-16(29)4-6-17(15)18(19)9-10-24(20,21)2/h4,6,13-14,18-21,29H,3,5,7-12H2,1-2H3,(H,26,31)
• InChIKey: LHNZBVWWOZMRLW-UHFFFAOYSA-N

Properties

• Density: 1.434g/cm³ (Cal.)