Pandamine
[CAS# 10233-81-5]

Identification

• Name: Pandamine
• Synonyms: (2S,3S)-2-Dimethylamino-N-[(3S,4S,7S)-11-Hydroxy-3-Isopropyl-5,8-Dioxo-7-(Phenylmethyl)-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),12(16),13-Trien-4-Yl]-3-Methyl-Pentanamide; (2S,3S)-2-Dimethylamino-N-[(3S,4S,7S)-11-Hydroxy-3-Isopropyl-5,8-Dioxo-7-(Phenylmethyl)-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),12(16),13-Trien-4-Yl]-3-Methylpentanamide; (2S,3S)-N-[(3S,4S,7S)-7-(Benzyl)-11-Hydroxy-3-Isopropyl-5,8-Diketo-2-Oxa-6,9-Diazabicyclo[10.2.2]Hexadeca-1(15),12(16),13-Trien-4-Yl]-2-Dimethylamino-3-Methyl-Valeramide
• Molecular Formula: C₃₁H₄₄N₄O₅
• Molecular Weight: 552.71
• CAS Registry Number: 10233-81-5
• SMILES: [C@H]1(OC3=CC=C(C(O)CNC(=O)[C@@H](NC(=O)[C@H]1NC(=O)[C@@H](N(C)C)[C@H](CC)C)CC2=CC=CC=C2)C=C3)C(C)C
• InChI: 1S/C31H44N4O5/c1-7-20(4)27(35(5)6)31(39)34-26-28(19(2)3)40-23-15-13-22(14-16-23)25(36)18-32-29(37)24(33-30(26)38)17-21-11-9-8-10-12-21/h8-16,19-20,24-28,36H,7,17-18H2,1-6H3,(H,32,37)(H,33,38)(H,34,39)/t20-,24-,25?,26-,27-,28-/m0/s1
• InChIKey: STKZKAJIJHJDCQ-CVCFRWPJSA-N

Properties

• Density: 1.185g/cm³ (Cal.)
• Boiling point: 815.642°C at 760 mmHg (Cal.)
• Flash point: 447.084°C (Cal.)