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Chemical structure of Buntanetap

GC66072

Buntanetap

Also known as [(3aS,8bR)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate

Buntanetap ((+)-Phenserine) is a novel selective cholinesterase noncompetitive inhibitor with an IC50 of 45·3 μM

ChemicalCAS116839-68-0MW337.42FormulaC20H23N3O2
CAS number
116839-68-0
Molecular weight
337.42
Formula
C20H23N3O2
Solubility
DMSO ： 230 mg/mL (681·64 mM; Need ultrasonic)
InChIKey
PBHFNBQPZCRWQP-AZUAARDMSA-N
Catalogue number
GC66072
Brand
GLPBIO
Computed properties PubChem CID 11249342 · XLogP 2.3 · TPSA 44.8 Ų · H-bond donors 1
XLogP
2.3
TPSA
44.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25

SMILES C[C@]12CCN([C@H]1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)C

Computed descriptors from PubChem (CID 11249342), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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