Anhydro Vinblastine Disulfate Salt
Basic information
- CAS
38390-45-3- Standard SMILES
CCC1=CC2CN(CCc3c([nH]c4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1- InChIKey
FFRFGVHNKJYNOV-UHFFFAOYSA-N- Molecular formula
- C46H56N4O8
- Average molar mass
- 793 g/mol
- Monoisotopic mass
- 792.40981476
Overview
Anhydrovinblastine has been used in trials studying the treatment of Unspecified Adult Solid Tumor, Protocol Specific.
Names & identifiers
- Preferred name
- Anhydro Vinblastine Disulfate Salt
- IUPAC
- methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
- English name
- 3',4'-Anhydrovinblastine
- Molecular formula
- C46H56N4O8
- Molecular weight
- 792.96
Names & synonyms
AnhydrovinblastineAnhydro Vinblastine Disulfate Salt38390-45-381165-17-5Anhydro Vinblastine-[d3] Disulfate SaltDB-082053Methyl 11-acetyloxy-12-ethyl-4-(17-ethyl-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl)-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylateC11641F 81097ANHYDROVINBLASTINVinblastineanhydrousDehydrated vinblastine
Show more names
Vinblastine Impurity 13',4'-anhydrovinblastine3',4'-Dehydrovinblastine3',4'-Dehydroisoleurosine
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,710
Physicochemical properties
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Sparingly), Water (Slightly)
- pka
- 11.36 · 11.36±0.60(Predicted)
- form
- Solid
- color
- White to Pale Beige
- Stability
- Hygroscopic, Temperature Sensitive
- EWG's Food Scores
- 1 · 1
- NCI Dictionary of Cancer Terms
- anhydrovinblastine
- FDA UNII
- 5 B622U08B3 · 5B622U08B3
Chemistry & industry
Applications
UsesAnhydrovinblastine showed significant cytotoxic potential against a panel of human cancer cell lines and significant activity against the human H460 non-small cell lung carcinoma tumor xenograph in mice.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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