Brovincamine
Completing data — refresh the page later to see the latest
Basic information
- CAS
57475-17-9- Standard SMILES
CC[C@]12CCCN3CCc4c(n(c5cc(Br)ccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32- InChIKey
WYIJGAVIVKPUGJ-GIVPXCGWSA-N- Molecular formula
- C21H25BrN2O3
- Average molar mass
- 433.3 g/mol
- Monoisotopic mass
- 432.10486
Names & identifiers
- Preferred name
- Brovincamine
- IUPAC
- methyl (15S,17S,19S)-4-bromo-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylate
- English name
- Brovincamine
- Molecular formula
- C21H25BrN2O3
- Molecular weight
- 433.34
Names & synonyms
Brovincamine11-Bromovincamine57475-17-9BrovincaminaBrovincaminumSarbrominBV 26-723AYN5T18K5RBV-26-723DTXSID701024133bromovincamine fumarateRefChem:121706
Show more names
Brovineanfine11-Brovincaminecis-11-BromovincamineBrovincamine USP/EP/BP(+)-cis-11-Bromovincamine(3α,14S,16α)-11-Bromo-14,15-dihydro-14-hydroxyeburnamenine-14-carboxylic acid methyl esterEburnamenine-14-carboxylic acid, 11-bromo-14,15-dihydro-14-hydroxy-, methyl ester, (3α,14β,16α)-
DTXCID301508400Brovincamine [INN]Brovincamine (INN)methyl (15S,17S,19S)-4-bromo-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraene-17-carboxylate9-BromvincaminBrovincamina [INN-Spanish]Brovincaminum [INN-Latin]UNII-AYN5T18K5R
Database identifiers
- CAS
57475-17-9- PubChem CID
- 68771
- DTXSID
DTXSID701024133- ChEMBL
CHEMBL165643- ChEBI
CHEBI:135701- UNII
- AYN5T18K5R
- Nikkaji
- J14.541F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 633
Physicochemical properties
- Melting point
- 214 ° · 214° (dec)
- alpha
- 20 · D20 +8.7° (1% in CHCl3)
- CAS DataBase Reference
- 57475 · 57475-17-9
- FDA UNII
- 5 T18K5R · AYN5T18K5R
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.
Applications
UsesBrovincamine is a useful reagent for the synthesis of Vincamine (V314030(P)), which is used for the treatment of cerebral insufficiencies.
Additional notes
DefinitionChEBI: Brovincamine is an alkaloid.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…