Ergoline, 6-propyl-8-(1H-1,2,4-triazol-1-ylmethyl)-, (8-beta)-, (Z)-2-butenedioate (1:1)
Basic information
- CAS
160730-62-1- Standard SMILES
CCCN1C[C@H](Cn2cncn2)CC2c3cccc4[nH]cc(c34)C[C@H]21.O=C(O)/C=C/C(=O)O- InChIKey
NIIFCJKXEFHJSQ-VOJJDNHOSA-N- Molecular formula
- C24H29N5O4
- Average molar mass
- 451.5 g/mol
- Monoisotopic mass
- 451.22195442
Names & identifiers
- Preferred name
- Ergoline, 6-propyl-8-(1H-1,2,4-triazol-1-ylmethyl)-, (8-beta)-, (Z)-2-butenedioate (1:1)
- IUPAC
- (6aR,9R)-7-propyl-9-(1,2,4-triazol-1-ylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;(E)-but-2-enedioic acid
Names & synonyms
Ergoline, 6-propyl-8-(1H-1,2,4-triazol-1-ylmethyl)-, (8-beta)-, (Z)-2-butenedioate (1:1)160730-62-1RefChem:1084185(5R,8R,10R)-6-Propyl-8-(1,2,4-triazol-1-ylmethyl)ergoline maleate6-Propyl-8-(1H-1,2,4-triazol-1-ylmethyl)ergoline (8-beta)- (Z)-2-butenedioate (1:1)
Database identifiers
- CAS
160730-62-1- PubChem CID
- 6449014
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 590
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Compound notes
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