Antilirium
[CAS# 71214-04-5]

Identification

• Name: Antilirium
• Synonyms: Sodium; N-Ethylcarbamic Acid [(3Ar,8Bs)-4,8B-Dimethyl-1,2,3,3A-Tetrahydropyrrolo[2,3-B]Indol-7-Yl] Ester; Hydrogen Sulfite; 2-Hydroxybenzoic Acid; Phenylmethanol; Sodium
• Molecular Formula: C₂₉H₃₆N₃NaO₉S
• Molecular Weight: 625.67
• CAS Registry Number: 71214-04-5
• SMILES: [C@]13([C@@H](N(C2=C1C=C(OC(=O)NCC)C=C2)C)NCC3)C.O=[S]([O-])O.[Na+].O=C(O)C4=CC=CC=C4O.C(O)C5=CC=CC=C5
• InChI: 1S/C15H21N3O2.C7H6O3.C7H8O.Na.H2O3S/c1-4-16-14(19)20-10-5-6-12-11(9-10)15(2)7-8-17-13(15)18(12)3;8-6-4-2-1-3-5(6)7(9)10;8-6-7-4-2-1-3-5-7;;1-4(2)3/h5-6,9,13,17H,4,7-8H2,1-3H3,(H,16,19);1-4,8H,(H,9,10);1-5,8H,6H2;;(H2,1,2,3)/q;;;+1;/p-1/t13-,15+;;;;/m1..../s1
• InChIKey: PECXBGSMLZZDQM-DSXCFSFJSA-M

Properties

• Boiling point: 415.5°C at 760 mmHg (Cal.)
• Flash point: 205.1°C (Cal.)