Desocriptine

Base Information

• Chemical Name: Desocriptine
• CAS No.: 66759-48-6
• Molecular Formula: C32H45N5O4
• Molecular Weight: 563.7308
• DSSTox Substance ID: DTXSID70985335
• NCI Thesaurus Code: C81357

Synonyms:Desocriptine;(6As,9R,10aR)-N-[(1S,2S,4R,7S)-7-[(2S)-butan-2-yl]-2-hydroxy-5-oxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;66759-48-6;C32-H45-N5-O4;DTXSID70985335;N-[5-(Butan-2-yl)-10b-hydroxy-3-oxo-2-(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-6-methylergoline-8-carboximidic acid

Chemical Property of Desocriptine

Chemical Property:

• Vapor Pressure: 1.46E-26mmHg at 25°C
• Boiling Point: 793.7°Cat760mmHg
• Flash Point: 433.8°C
• PSA: 101.14000
• Density: 1.31g/cm³
• LogP: 3.19860
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 563.34715493
• Heavy Atom Count: 41
• Complexity: 1060

Purity/Quality:

99% ^*data from raw suppliers

DESOCRIPTINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1CN2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O
• Isomeric SMILES: CC[C@H](C)[C@H]1CN2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4C[C@H]5[C@H](CC6=CNC7=CC=CC5=C67)N(C4)C)O

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