Basic information
- CAS
89930-64-3- Standard SMILES
C[C@@H]1C[C@@H]2c3cccc4c3c(cn4CO)C[C@H]2N(C)C1- InChIKey
ZRSYFDQOVJPDJB-DJSGYFEHSA-N- Molecular formula
- C17H22N2O
- Average molar mass
- 270.37 g/mol
- Monoisotopic mass
- 270.17321333
Names & identifiers
- Preferred name
- Ergoline-1-methanol, 6,8-dimethyl-, (8-beta)-
- IUPAC
- [(6aR,9R,10aR)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-4-yl]methanol
Names & synonyms
89930-64-3Ergoline-1-methanol, 6,8-dimethyl-, (8-beta)-RA273HBG2NNSC-332296RefChem:1084193NSC3322961-HydroxymethylfestuclavineNSC 332296BRN 5575894(8-beta)-6,8-Dimethylergoline-1-methanol(dimethyl[?]yl)methanolUNII-RA273HBG2N
Show more names
DTXSID501009066(6,8-Dimethylergolin-1-yl)methanol(6,8beta-Dimethylergolin-1-yl)methanolErgoline-1-methanol, 6,8-dimethyl-, (8.beta.)-
Database identifiers
- CAS
89930-64-3- PubChem CID
- 73503
- DTXSID
DTXSID501009066- UNII
- RA273HBG2N
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 28.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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