Pretazettine
[CAS# 17322-85-9]

Identification

• Name: Pretazettine
• Synonyms: Pretazettine, Hydrochloride; Tazettine, 6A-Deoxy-8-Hydroxy-, Hydrochloride, (6A-Beta,8-Beta)- (9Ci); Nsc 109808
• Molecular Formula: C₁₈H₂₂ClNO₅
• Molecular Weight: 367.83
• CAS Registry Number: 17322-85-9
• SMILES: [C@]135[C@@H](N(C[C@@H]1O[C@@H](O)C4=CC2=C(OCO2)C=C34)C)C[C@H](OC)C=C5.[H+].[Cl-]
• InChI: 1S/C18H21NO5.ClH/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16;/h3-4,6-7,10,15-17,20H,5,8-9H2,1-2H3;1H/t10-,15+,16+,17-,18+;/m1./s1
• InChIKey: YHHPTRFYYPGNIO-WRDXNDLCSA-N

Properties

• Boiling point: 499.6°C at 760 mmHg (Cal.)
• Flash point: 255.9°C (Cal.)