Lysergic acid 2,4-dimethylazetidide (Q6710118)

CHEMBL343755 (English)

21 September 2016

chemical formula

C₂₁H₂₅N₃O

1 reference

CHEMBL343755 (English)

21 September 2016

canonical SMILES

CC1CC(N1C(=O)C2CN(C3CC4=CNC5=CC=CC(=C45)C3=C2)C)C

1 reference

CHEMBL343755 (English)

21 September 2016

isomeric SMILES

C[C@H]1C[C@@H](N1C(=O)[C@H]2CN(C3CC4=CNC5=CC=CC(=C45)C3=C2)C)C

1 reference

CHEMBL343755 (English)

InChI=1S/C21H25N3O/c1-12-7-13(2)24(12)21(25)15-8-17-16-5-4-6-18-20(16)14(10-22-18)9-19(17)23(3)11-15/h4-6,8,10,12-13,15,19,22H,7,9,11H2,1-3H3/t12-,13-,15+,19?/m0/s1

21 September 2016

Identifiers

InChI

1 reference

CHEMBL343755 (English)

DUKNIHFTDAXJON-ORPLUIKVSA-N

21 September 2016

InChIKey

1 reference

CHEMBL343755 (English)

imported from Wikimedia project

21 September 2016

CAS Registry Number

470666-31-0

1 reference

1 reference

[(2S,4S)-2,4-Dimethyl-1-azetidinyl][(8beta)-6-methyl-9,10-didehydroergolin-8-yl]methanone (English)

21 September 2016

2 references

CHEMBL343755 (English)

matched by identifier from

21 September 2016

InChIKey

DUKNIHFTDAXJON-ORPLUIKVSA-N

1 reference