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Lysergic Acid Methylpropylamide

CAT: 0572-TRC-L488040-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L488040-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
40158-98-3
Synonyms
(8β)-9,10-Didehydro-N,6-dimethyl-N-propylergoline-8-carboxamide; LAMPA; Lysergic acid methylpropylamide; Lysergic Acid N-Methyl-N-propylamide; N-Methyl-N-propyl-D-lysergamide; N-Methyl-N-propyllysergamide
Hazard Statement
Fatal if swallowed; UN number: UN2811; Packing Group: II
Purity
>95% (HPLC)
Smiles
CCCN(C)C(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Molecular Formula
C20 H25 N3 O
Molecular Weight
323.43
InChI
InChI=1S/C20H25N3O/c1-4-8-22(2)20(24)14-9-16-15-6-5-7-17-19(15)13(11-21-17)10-18(16)23(3)12-14/h5-7,9,11,14,18,21H,4,8,10,12H2,1-3H3/t14-,18-/m1/s1
Additionnal Information
IUPAC name: (6aR,9R)-N,7-dimethyl-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Lysergic acid methylpropylamide
CAS Number40158-98-3
PubChem CID13932543
IUPAC Name(6aR,9R)-N,7-dimethyl-N-propyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular FormulaC20H25N3O
Molecular Weight323.4
XLogP3.1
Topological Polar Surface Area39.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity531
SMILES
CCCN(C)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C
InChI
InChI=1S/C20H25N3O/c1-4-8-22(2)20(24)14-9-16-15-6-5-7-17-19(15)13(11-21-17)10-18(16)23(3)12-14/h5-7,9,11,14,18,21H,4,8,10,12H2,1-3H3/t14-,18-/m1/s1
InChIKey
CZRJGQXHVRNZRZ-RDTXWAMCSA-N
Chemical Structure
2D Structure
2D structure of Lysergic acid methylpropylamide
CAS: 40158-98-3
CID: 13932543
Formula: C20H25N3O
MW: 323.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass323.199762429
Monoisotopic Mass323.199762429
Topological Polar Surface Area39.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity531
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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DAG-WT849OLysergic acid [OVA]
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