(10R,13R,16R,19S)-16-Butan-2-yl-3-(3-chloro-2-hydroxy-propyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
[CAS# 121723-07-7]

Identification

• Name: (10R,13R,16R,19S)-16-Butan-2-yl-3-(3-chloro-2-hydroxy-propyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
• Synonyms: (10R,13R,16R,19S)-3-(3-Chloro-2-Hydroxy-Propyl)-13-Isopropyl-10,11,14-Trimethyl-16-Sec-Butyl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Hexone; (10R,13R,16R,19S)-3-(3-Chloro-2-Hydroxypropyl)-13-Isopropyl-10,11,14-Trimethyl-16-Sec-Butyl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Hexone; (10R,13R,16R,19S)-3-(3-Chloro-2-Hydroxy-Propyl)-13-Isopropyl-10,11,14-Trimethyl-16-Sec-Butyl-4-Oxa-1,8,11,14,17-Pentazabicyclo[17.3.0]Docosane-2,5,9,12,15,18-Triquinone
• Molecular Formula: C₂₉H₄₈ClN₅O₈
• Molecular Weight: 630.18
• CAS Registry Number: 121723-07-7
• SMILES: [C@H]12N(CCC1)C(=O)C(OC(=O)CCNC(=O)[C@H](N(C(=O)[C@H](N(C(=O)[C@H](NC2=O)C(CC)C)C)C(C)C)C)C)CC(O)CCl
• InChI: 1S/C29H48ClN5O8/c1-8-17(4)23-28(41)34(7)24(16(2)3)29(42)33(6)18(5)25(38)31-12-11-22(37)43-21(14-19(36)15-30)27(40)35-13-9-10-20(35)26(39)32-23/h16-21,23-24,36H,8-15H2,1-7H3,(H,31,38)(H,32,39)/t17?,18-,19?,20+,21?,23-,24-/m1/s1
• InChIKey: WUTLOXOGFQPKLT-XWKBWMEZSA-N

Properties

• Density: 1.262g/cm³ (Cal.)
• Boiling point: 938.293°C at 760 mmHg (Cal.)
• Flash point: 521.261°C (Cal.)