ajmaline phenylbarbiturate
[CAS# 81424-61-5]

Identification

• Name: ajmaline phenylbarbiturate
• Synonyms: Ajmalan-17,21-diol, (17R,21α)-, mixt. with 5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione; AJ-Pbb
• Molecular Formula: C₃₀H₃₄N₄O₅
• Molecular Weight: 530.61
• CAS Registry Number: 81424-61-5
• SMILES: O=C2NC(=O)NC(=O)C2c1ccccc1.O[C@H]3N4[C@@H]2[C@@H]6N(c1c(cccc1)C65[C@H](O)C(C(C2)[C@@H]3CC)[C@@H]4C5)C
• InChI: 1S/C20H26N2O2.C10H8N2O3/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24;13-8-7(6-4-2-1-3-5-6)9(14)12-10(15)11-8/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3;1-5,7H,(H2,11,12,13,14,15)/t10-,11?,14-,15-,16?,17-,18+,19+,20?;/m0./s1
• InChIKey: FQHDUMDHVKEPDU-MNGKQSICSA-N

Properties

• Boiling point: 519.4°C at 760 mmHg (Cal.)
• Flash point: 285.2°C (Cal.)