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Dihydrolysergamide

CAT: 1596-AR-E01692-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E01692-01Size:10 Units
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CAS Number
2410-19-7
Synonyms
(6aR,9R,10aR) -7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide; (8?) -6-Methylergoline-8-carboxamide; Indolo[4,3-fg]quinoline Ergoline-8-carboxamide Deriv.; 9,10-Dihydro-D-lysergic Acid Amide; 9,10-Dihydroergin; Dihydrolysergic Acid Amide
Molecular Formula
C16H19N3O
Molecular Weight
269.35
API Name
Ergotamine

Chemical Information

Dihydrolysergamide
CAS Number2410-19-7
PubChem CID21122984
IUPAC Name(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular FormulaC16H19N3O
Molecular Weight269.34
XLogP1.3
Topological Polar Surface Area62.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity413
SMILES
CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N
InChI
InChI=1S/C16H19N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-4,7,10,12,14,18H,5-6,8H2,1H3,(H2,17,20)/t10-,12-,14-/m1/s1
InChIKey
OEVHDXFBOKGRLN-MPKXVKKWSA-N
Chemical Structure
2D Structure
2D structure of Dihydrolysergamide
CAS: 2410-19-7
CID: 21122984
Formula: C16H19N3O
MW: 269.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.34
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass269.152812238
Monoisotopic Mass269.152812238
Topological Polar Surface Area62.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity413
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-D448590-1MGDihydrolysergamide

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