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Chemical structure of 1-Acetyl-β-carboline

GC62046

1-Acetyl-β-carboline

Also known as 1-(9H-pyrido[3,4-b]indol-1-yl)ethanone

1-Acetyl-β-carboline is metabolite of streptomyces kasugaensis

ChemicalCAS50892-83-6MW210.23FormulaC13H10N2O
CAS number
50892-83-6
Molecular weight
210.23
Formula
C13H10N2O
InChIKey
NXZSUJKPVSDFNF-UHFFFAOYSA-N
Catalogue number
GC62046
Brand
GLPBIO
Computed properties PubChem CID 638667 · XLogP 2.3 · TPSA 45.8 Ų · H-bond donors 1
XLogP
2.3
TPSA
45.8 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16

SMILES CC(=O)C1=NC=CC2=C1NC3=CC=CC=C23

Computed descriptors from PubChem (CID 638667), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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