Basic information
- CAS
122367-97-9- Standard SMILES
C[C@@H]1CC2c3cc(Br)cc4c3c(cn4CC3CC3)C[C@H]2N(C)C1- InChIKey
PQBURNFCYKPOGL-VALIOXDKSA-N- Molecular formula
- C20H25BrN2
- Average molar mass
- 373.3 g/mol
- Monoisotopic mass
- 372.12011
Names & identifiers
- Preferred name
- 13-Bromo-1-cyclopropylmethylfestuclavine
- IUPAC
- (6aR,9R)-2-bromo-4-(cyclopropylmethyl)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
- English name
- (8-beta)-13-Bromo-1-(cyclopropylmethyl)-6,8-dimethylergoline
- Molecular weight
- 0
Names & synonyms
13-Bromo-1-cyclopropylmethylfestuclavine122367-97-9(8-beta)-13-Bromo-1-(cyclopropylmethyl)-6,8-dimethylergolineCCRIS 6642Ergoline, 13-bromo-1-(cyclopropylmethyl)-6,8-dimethyl-, (8-beta)-DTXSID90924145Ergoline, 13-bromo-1-(cyclopropylmethyl)-6,8-dimethyl-, (8beta)-(6aR,9R)-2-bromo-4-(cyclopropylmethyl)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline13-Bromo-1-(cyclopropylmethyl)-6,8-dimethylergoline(10xi)-13-Bromo-1-(cyclopropylmethyl)-6,8beta-dimethylergoline
Database identifiers
- CAS
122367-97-9- PubChem CID
- 147706
- DTXSID
DTXSID90924145
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 8.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 465
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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