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Vincristine

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Identification
Molecular formula
C46H56N4O10
CAS number
57-22-7
IUPAC name
(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-isopropyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
State
State

Vincristine is typically a solid at room temperature.

Melting point (Celsius)
218.00
Melting point (Kelvin)
491.15
Boiling point (Celsius)
230.00
Boiling point (Kelvin)
503.15
General information
Molecular weight
824.99g/mol
Molar mass
824.9880g/mol
Density
1.3603g/cm3
Appearence

The compound appears as a white to off-white crystalline powder.

Comment on solubility

Solubility Characteristics

The compound (6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-isopropyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide exhibits unique solubility properties influenced by its complex molecular structure. Here are some critical aspects to consider:

  • Polarity: The presence of multiple functional groups including hydroxyl and amide linkages can affect the polarity of the compound, allowing it to engage more readily with polar solvents such as water.
  • Hydrogen Bonding: The hydroxyl group is particularly significant as it can form hydrogen bonds with solvents, potentially enhancing solubility in polar solvents.
  • Non-Polar Interactions: Given that the structure includes substantial hydrophobic regions, this compound is likely to show lower solubility in non-polar solvents.
  • Temperature Dependency: Solubility may be temperature-dependent, with increased temperatures generally leading to improved solubility for many organic compounds.

Due to these intricate structural features, it is crucial to conduct empirical assays to ascertain the precise solubility profile in various solvents. As with many organic compounds, understanding the solubility behavior can be pivotal for its applications in pharmaceuticals and material science, distinguishing environments where it might be utilized effectively.

Interesting facts

Interesting Facts about (6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-isopropyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

This compound, known for its complex structure and diverse potential applications, belongs to the family of bioactive molecules that exhibit interesting pharmacological properties. Here are some engaging facts about this fascinating compound:

  • Structural Complexity: The compound features a unique multi-cyclic structure that is crucial for its activity. The arrangement of atoms and the presence of various functional groups contribute to its chemical properties.
  • Bioactivity: Compounds like this have been studied for their potential in therapeutic applications, particularly in oncology and neuropharmacology. Their intricate structures often allow for interactions with multiple biological targets.
  • Natural Inspiration: Many synthetic compounds with bioactive properties are inspired by natural products. This particular compound may share structural resemblance with alkaloids, which have historically been known for medicinal uses.
  • Research Frontiers: Ongoing research is exploring the kinetics and mechanisms of interactions of this compound with various enzymes and receptors, potentially leading to the development of new drugs.
  • Memory Aid: The elaborate name of this compound can serve as a mnemonic for students. Breaking it down by its functional groups or core structures can help in learning organic chemistry nomenclature.

In conclusion, the study of such compounds opens the door to innovative research avenues and potential breakthroughs in medicinal chemistry. As chemists continue to dissect and understand these intricate structures, the promise they hold for improving health and wellness remains a compelling area of exploration.

Synonyms
Ergocristine
511-08-0
Ergocrystine
3E58HO2T0U
CHEBI:4821
DTXSID40891858
NSC-93743
5'alpha-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)ergotaman
(5'alpha)-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione
(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
12'-hydroxy-2'-(1-methyl)-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha)-
ergocrystin
ergokrystin
(6aR,9R)-N-((1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo(7.3.0.02,6)dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo(4,3-fg)quinoline-9-carboxamide
RefChem:137504
DTXCID901031279
208-120-7
N-(7-benzyl-2-hydroxy-5,8-dioxo-4-(propan-2-yl)-3-oxa-6,9-diazatricyclo(7.3.0.02,6)dodecan-4-yl)-6-methyl-6,11-diazatetracyclo(7.6.1.02,7.012,16)hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide
MLS000069350
SMR000058447
Ergotaman-3',6',18-trione,12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'a)-
Ergocristin
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'.alpha.)-
NSC 93743
UNII-3E58HO2T0U
NSC93743
EINECS 208-120-7
BRN 0079046
ERGOCRISTINE [MI]
Lopac0_000514
4-25-00-00966 (Beilstein Handbook Reference)
cid_31116
ERGOCRISTINE [WHO-DD]
SCHEMBL177877
CHEMBL446315
SCHEMBL30957132
BDBM30702
HSDB 8380
C35H39N5O5
MFCD00215848
CCG-204605
FE22781
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'-alpha)-
E-140
EU-0100514
NS00007974
C09164
SR-01000075383
ERGOTAMINE TARTRATE IMPURITY D [EP IMPURITY]
Q5385810
SR-01000075383-1
491D4F3D-1B0B-4E0A-8AB0-0C759A3E8E26
2-Hydroxy-2-[1-methylethyl]-5-[phenylmethyl]ergotaman-3,6,18-trione
12'-Hydroxy-2'-(1-methyl-ethyl)-5'-(phenylmethyl)ergotaman-3'6'18-trione
(5'a)-12'-Hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione;Ergocrystine;NSC 93743
(6AR,9R)-N-((2R,5S,10AS,10BS)-5-BENZYL-10B-HYDROXY-3,6-DIOXO-2-(PROPAN-2-YL)OCTAHYDRO-8H-(1,3)OXAZOLO(3,2-A)PYRROLO(2,1-C)PYRAZIN-2-YL)-7-METHYL-4,6,6A,7,8,9-HEXAHYDROINDOLO(4,3-FG)QUINOLINE-9-CARBOXAMIDE
(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-isopropyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
N-[(2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-isopropyl-3,6-dioxo-8,9,10,10a-tetrahydro-5H-oxazolo[[?]]pyrrolo[[?]]pyrazin-2-yl]-methyl-[?]carboxamide