ajmaline phenobarbital

Summary

ajmaline phenobarbital is a group of stereoisomers^[1].

Key Facts

• ajmaline phenobarbital's instance of is recorded as group of stereoisomers^[2].
• ajmaline phenobarbital's CAS Registry Number is recorded as 5306-82-1^[3].
• ajmaline phenobarbital's EC number is recorded as 226-158-2^[4].
• ajmaline phenobarbital's canonical SMILES is recorded as CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C.CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2^[5].
• ajmaline phenobarbital's InChI is recorded as InChI=1S/C20H26N2O2.C12H12N2O3/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;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)/t10-,11-,14-,15-,16-,17-,18+,19+,20+;/m0./s1^[6].
• ajmaline phenobarbital's InChIKey is recorded as ADRLAPQLTWAKBF-LCJCZRDQSA-N^[7].
• ajmaline phenobarbital's chemical formula is recorded as C₃₂H₃₈N₄O₅^[8].
• ajmaline phenobarbital's subclass of is recorded as chemical compound^[9].
• ajmaline phenobarbital's UNII is recorded as LMZ49Q985V^[10].
• ajmaline phenobarbital's ChemSpider ID is recorded as 34992092^[11].
• ajmaline phenobarbital's PubChem CID is recorded as 91617819^[12].
• ajmaline phenobarbital's isomeric SMILES is recorded as CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(CC@@HN3[C@@H]1O)C6=CC=CC=C6N4C.CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2^{C@@HN3[C@@H]1O)C6=CC=CC=C6N4C.CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2">[13]}.
• ajmaline phenobarbital's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+558.284'}^[14].
• ajmaline phenobarbital's ECHA Substance Infocard ID is recorded as 100.023.781^[15].
• ajmaline phenobarbital's DSSTox substance ID is recorded as DTXSID90201125^[16].
• ajmaline phenobarbital's DSSTOX compound identifier is recorded as DTXCID90123616^[17].
• ajmaline phenobarbital's UniChem compound ID is recorded as 100327961^[18].