1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-Urea 5'-(p-nitrobenzoate)
[CAS# 74692-68-5]

Identification

• Name: 1-(2,3-O-(p-(bis(2-chloroethyl)amino)benzylidene)-D-ribofuranos-2-yl)-3-(2chloroethyl)-Urea 5'-(p-nitrobenzoate)
• Synonyms: 4-Nitrobenzoic Acid [(6R)-2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-4-[[(2-Chloroethylamino)-Oxomethyl]Amino]-3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3]Dioxol-6-Yl]Methyl Ester; 4-Nitrobenzoic Acid [(6R)-2-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-4-(2-Chloroethylcarbamoylamino)-3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3]Dioxol-6-Yl]Methyl Ester; Urea, 1-(2,3-O-(P-(Bis(2-Chloroethyl)Amino)Benzylidene)-D-Ribofuranos-2-Yl)-3-(2Chloroethyl)-, 5'-(P-Nitrobenzoate)
• Molecular Formula: C₂₆H₂₉Cl₃N₄O₈
• Molecular Weight: 631.90
• CAS Registry Number: 74692-68-5
• SMILES: [C@@H]1(OC(NC(=O)NCCCl)C2OC(OC12)C3=CC=C(N(CCCl)CCCl)C=C3)COC(=O)C4=CC=C([N+]([O-])=O)C=C4
• InChI: 1S/C26H29Cl3N4O8/c27-9-12-30-26(35)31-23-22-21(20(39-23)15-38-24(34)16-1-7-19(8-2-16)33(36)37)40-25(41-22)17-3-5-18(6-4-17)32(13-10-28)14-11-29/h1-8,20-23,25H,9-15H2,(H2,30,31,35)/t20-,21?,22?,23?,25?/m1/s1
• InChIKey: AFZIKRZQDPXQFD-AXYUOHRYSA-N