((8beta)-9,10-Didehydro-6-methylergolin-8-yl)(1-pyrrolidinyl)methanone

HCID 200628
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Basic information

CAS
2385-87-7
Standard SMILES
CN1C[C@H](C(=O)N2CCCC2)C=C2c3cccc4[nH]cc(c34)C[C@H]21
InChIKey
SETDYMMXQQXCRP-RDTXWAMCSA-N
Molecular formula
C20H23N3O
Average molar mass
321.4 g/mol
Monoisotopic mass
321.18411236

Names & identifiers

Preferred name
((8beta)-9,10-Didehydro-6-methylergolin-8-yl)(1-pyrrolidinyl)methanone
IUPAC
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone
English name
1-[(9,10-Didehydro-6-methylergolin-8β-yl)carbonyl]pyrrolidine
Molecular formula
C20H23N3O
Molecular weight
321.42

Names & synonyms

2385-87-7RefChem:1048873((8beta)-9,10-Didehydro-6-methylergolin-8-yl)(1-pyrrolidinyl)methanoneLysergic acid pyrrolidateLPD-824D-Lysergic acid pyrrolidideLSD-25-pyrrolidate[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanoneMethanone, [(8b)-9,10-didehydro-6-methylergolin-8-yl](1-pyrrolidinyl)-lysergic acid pyrrolidideErgoline-8-beta-carboxylic acid, 9,10-didehydro-6-methyl-, pyrrolidateCHEMBL302524
Show more names
1-[(9,10-Didehydro-6-methylergolin-8β-yl)carbonyl]pyrrolidineMethanone, [(8β)-9,10-didehydro-6-methylergolin-8-yl](1-pyrrolidinyl)-
SCHEMBL3185923DTXSID20946653SETDYMMXQQXCRP-RDTXWAMCSA-NAKOS040752815Q6459673(6-Methyl-9,10-didehydroergolin-8beta-yl)(pyrrolidin-1-yl)methanone((6aR,9R)-7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinolin-9-yl)-pyrrolidin-1-yl-methanone

Database identifiers

CAS
2385-87-7
PubChem CID
200628
DTXSID
DTXSID20946653
ChEMBL
CHEMBL302524
Nikkaji
J42.979A

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
39.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
24

Experimental & physicochemical properties

DrugsDEA NFLIS-Drug Category -> Hallucinogens

Physicochemical properties

Boiling point
460.17 °C · 460.17°C (rough estimate)
Density
1.1195 · 1.1195 (rough estimate)
refractive index
1.62 · 1.6200 (estimate)
Toxicity
50 intravenous · LD50 intravenous in mouse: 46mg/kg

Safety & regulation

Safety data

Toxicity
LD50 intravenous in mouse: 46mg/kg

Chemistry & industry

Suppliers1 total

上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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