10-(beta-D-glycero-Hexopyranuronosyl)-2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine
[CAS# 186792-80-3]

Identification

• Name: 10-(beta-D-glycero-Hexopyranuronosyl)-2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine
• Synonyms: 10-(β-D-glycero-Hexopyranuronosyl)-2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine; 10H-Thieno[2,3-b][1,5]benzodiazepine, 10-β-D-glycero-hexopyranuronosyl-2-methyl-4-(4-methyl-1-piperazinyl)-; Olanzapine-¦Â-D-glucuronide
• Molecular Formula: C₂₃H₂₈N₄O₆S
• Molecular Weight: 488.56
• CAS Registry Number: 186792-80-3
• SMILES: Cc1cc2c(s1)N(c3ccccc3N=C2N4CCN(CC4)C)[C@H]5C(C(C([C@H](O5)C(=O)O)O)O)O
• InChI: 1S/C23H28N4O6S/c1-12-11-13-20(26-9-7-25(2)8-10-26)24-14-5-3-4-6-15(14)27(22(13)34-12)21-18(30)16(28)17(29)19(33-21)23(31)32/h3-6,11,16-19,21,28-30H,7-10H2,1-2H3,(H,31,32)/t16?,17?,18?,19-,21+/m0/s1
• InChIKey: GAMKTHIOQWRUNL-VIMZLGPTSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 751.2±70.0°C at 760 mmHg (Cal.)
• Flash point: 408.1±35.7°C (Cal.)
• Refractive index: 1.754 (Cal.)