4-Desacetyl 3-Deoxy Vincristine

Base Information

• Chemical Name: 4-Desacetyl 3-Deoxy Vincristine
• CAS No.: 99435-53-7
• Molecular Formula: C44H54N4O8
• Molecular Weight: 766.9
• DSSTox Substance ID: DTXSID00747504
• Mol file: 99435-53-7.mol

Synonyms:4-Desacetyl 3-Deoxy Vincristine;99435-53-7;Methyl (1S,9S,10R,11S,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-8-formyl-11-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;DTXSID00747504;RZVMMARIDNVUCW-OZXRLHGQSA-N;Methyl (2beta,3alpha,4beta,5alpha,12beta,19alpha)-15-[(5S,7S,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indol-9-yl]-1-formyl-4-hydroxy-16-methoxy-6,7-didehydroaspidospermidine-3-carboxylate

Chemical Property of 4-Desacetyl 3-Deoxy Vincristine

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 766.39416469
• Heavy Atom Count: 56
• Complexity: 1580

Purity/Quality:

97% ^*data from raw suppliers

4-Desacetyl3-DeoxyVincristine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)C(=O)OC)O)CC)OC)C(=O)OC)O
• Isomeric SMILES: CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@H]([C@@H]8N6C=O)C(=O)OC)O)CC)OC)C(=O)OC)O
• Uses: Degradation product of Vincristine (V314250)