2,3-Dihydroxybutanedioic acid--(6-methyl-9,10-didehydroergolin-8-yl)(morpholin-4-yl)methanone (1/1)
Basic information
- CAS
119248-45-2- Standard SMILES
CN1C[C@H](C(=O)N2CCOCC2)C=C2c3cccc4[nH]cc(c34)C[C@H]21.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
WWGJSUAZJZMMPW-AJLBZGGQSA-N- Molecular formula
- C24H29N3O8
- Average molar mass
- 487.5 g/mol
- Monoisotopic mass
- 487.19546489
Names & identifiers
- Preferred name
- 2,3-Dihydroxybutanedioic acid--(6-methyl-9,10-didehydroergolin-8-yl)(morpholin-4-yl)methanone (1/1)
- IUPAC
- [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone;(2R,3R)-2,3-dihydroxybutanedioic acid
Names & synonyms
63938-26-1DTXSID209812212,3-Dihydroxybutanedioic acid--(6-methyl-9,10-didehydroergolin-8-yl)(morpholin-4-yl)methanone (1/1)RefChem:1059402DTXCID601408493N-Morpholinyllysergamide tartrateR5MY5P0GJ9Morpholine, 4-lysergoyl-, tartrateUNII-R5MY5P0GJ9119248-45-2N-Morpholinyllysergamide.tartrateMorpholine, 4-((8beta)-(9,10-didehydro-6-methylergolin-8-yl)carbonyl)-, (2R,3R)-2,3-dihydroxybutanedioate
Show more names
d-Lysergic acid morpholide, tartaric acid saltMorpholine, 4-lysergoyl-, tartrate; (8?)-6-Methyl-8-(morpholin-4-ylcarbonyl)-9,10-didehydroergoline tartrateErgoline-8-beta-carboxylic acid, 9,10-didehydro-6-methyl-, morpholide, tartaric acid saltQ27287823(2R,3R)-2,3-Dihydroxybutanedioic acid--(6-methyl-9,10-didehydroergolin-8beta-yl)(morpholin-4-yl)methanone (1/1)MORPHOLINE, 4-((8.BETA.)-(9,10-DIDEHYDRO-6-METHYLERGOLIN-8-YL)CARBONYL)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE
Database identifiers
- CAS
119248-45-2、63938-26-1- PubChem CID
- 3048720
- DTXSID
Properties
Computed structural properties
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 705
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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