iso-Tacrolimus
[CAS# 134590-88-8]

Identification

• Name: iso-Tacrolimus
• Synonyms: (1R,9S,12S,15R,16E,19S,21S,22R,23R,25R)-1-hydroxy-12-[(E,2S,3S)-3-hydroxy-5-[(1R,3S,4R)-4-hydroxy-3-methoxycyclohexyl]-4-methylpent-4-en-2-yl]-21,23-dimethoxy-17,19,25-trimethyl-15-prop-2-enyl-11,26-dioxa-4-azatricyclo[20.3.1.04,9]hexacos-16-ene-2,3,10,14-tetrone
• Molecular Formula: C₄₄H₆₉NO₁₂
• Molecular Weight: 804.02
• CAS Registry Number: 134590-88-8
• SMILES: C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)[C@@H](C)[C@@H](/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O)/C)O)O)C)OC)OC

Properties

• Density: 1.2±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.549, Calc.^*
• Boiling Point: 880.1±75.0 ºC (760 mmHg), Calc.^*
• Flash Point: 486.1±37.1 ºC, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302-H315-H319-H335
• Precautionary Statements: P261-P280-P301+P31-P302+P352-P305+P351+P338