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2-Oxo-3-hydroxy-LSD

CAT: 0804-HY-137386-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-137386-02Size:10 mg
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Description
2-Oxo-3-hydroxy-LSD is a metabolite of Lysergic acid diethylamide[1].
CAS Number
111295-09-1
UNSPSC
12352005
Hazard Statement
H225-H302+H312+H332-H319
Target
Drug Metabolite
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Neurological Disease
Smiles
OC1(C[C@@]2([H])N(C3)C)C(C(C2=C[C@H]3C(N(CC)CC)=O)=CC=C4)=C4NC1=O
Molecular Formula
C20H25N3O3
Molecular Weight
355.43
Precautions
P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P330-P362+P364-P370+P378-P403+P235-P501
References & Citations
[1]Zheng J, et al. Concentrations of LSD, 2-oxo-3-hydroxy-LSD, and iso-LSD in hair segments of 18 drug abusers. Forensic Sci Int. 2023 Mar;344:111578.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Oxo-3-hydroxy-lysergide

a metabolite of LSD

CAS Number111295-09-1
PubChem CID10155149
IUPAC Name(6aR,9R)-N,N-diethyl-5a-hydroxy-7-methyl-5-oxo-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular FormulaC20H25N3O3
Molecular Weight355.4
XLogP0.3
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity644
SMILES
CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3(C4=C(C2=C1)C=CC=C4NC3=O)O)C
InChI
InChI=1S/C20H25N3O3/c1-4-23(5-2)18(24)12-9-14-13-7-6-8-15-17(13)20(26,19(25)21-15)10-16(14)22(3)11-12/h6-9,12,16,26H,4-5,10-11H2,1-3H3,(H,21,25)/t12-,16-,20?/m1/s1
InChIKey
YSZSHHCNLVHCNV-VRORWYBRSA-N
Chemical Structure
2D Structure
2D structure of 2-Oxo-3-hydroxy-lysergide
CAS: 111295-09-1
CID: 10155149
Formula: C20H25N3O3
MW: 355.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.4
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass355.18959167
Monoisotopic Mass355.18959167
Topological Polar Surface Area72.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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