1P-LSD solution | CAY-27727-100UG
1.1 Name 1-Propionyl-lysergic acid diethylamide
1.2 Synonyms 1P-LSD (solution)
1.3 CAS No. 2349358-81-0
1.4 CID: 119025985
1.5 Molecular Formula C23H29N3O2 (isomer)
1.6 Inchi InChI=1S/C23H29N3O2/c1-5-21(27)26-14-15-12-20-18(17-9-8-10-19(26)22(15)17)11-16(13-24(20)4)23(28)25(6-2)7-3/h8-11,14,16,20H,5-7,12-13H2,1-4H3/t16-,20-/m1/s1
1.7 InChIkey JSMQOVGXBIDBIE-OXQOHEQNSA-N
1.8 Canonical Smiles CCC(=O)N1C=C2CC3C(=CC(CN3C)C(=O)N(CC)CC)C4=C2C1=CC=C4
1.9 Isomers Smiles: CCC(=O)N1C=C2C[C@@H]3C(=C[C@H](CN3C)C(=O)N(CC)CC)C4=C2C1=CC=C4
1P-LSD solution | CAY-27727-100UG
Molecular Weight: 379.5g/mol
Molecular Formula: C23H29N3O2
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 379.22597718
Monoisotopic Mass: 379.22597718
Complexity: 656
Rotatable Bond Count: 4
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 45.6
Heavy Atom Count: 28
Defined Atom Stereocenter Count: 2
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB7
