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Chemical structure of Agroclavine

GC70735

Agroclavine

Also known as (6aR,10aR)-7,9-dimethyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline

Agroclavine is a natural, clavine type of ergot alkaloid

ChemicalCAS548-42-5MW238.33FormulaC16H18N2
CAS number
548-42-5
Molecular weight
238.33
Formula
C16H18N2
InChIKey
XJOOMMHNYOJWCZ-UKRRQHHQSA-N
Catalogue number
GC70735
Brand
GLPBIO
Computed properties PubChem CID 73484 · XLogP 2.6 · TPSA 19 Ų · H-bond donors 1
XLogP
2.6
TPSA
19 Ų
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
18

SMILES CC1=C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C

Computed descriptors from PubChem (CID 73484), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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