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Chemical structure of (R)-nitro-Blebbistatin

GC41719

(R)-nitro-Blebbistatin

Also known as (3aR)-3a-hydroxy-7-nitro-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one

(R)-nitro-Blebbistatin is a more stable form of (+)-blebbistatin, which is the inactive form of (-)-blebbistatin

ChemicalCAS1217619-62-9MW323.3FormulaC17H13N3O4
CAS number
1217619-62-9
Molecular weight
323.3
Formula
C17H13N3O4
Solubility
DMF： 20 mg/ml,DMSO： 25 mg/ml,DMSO：PBS (pH 7·2) (1：1)： 0·5 mg/ml
InChIKey
VIMYHNYWFMRDKQ-KRWDZBQOSA-N
Catalogue number
GC41719
Brand
GLPBIO
Computed properties PubChem CID 29978032 · XLogP 1.8 · TPSA 98.7 Ų · H-bond donors 1
XLogP
1.8
TPSA
98.7 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
24

SMILES C1CN(C2=NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)[C@]21O)C4=CC=CC=C4

Computed descriptors from PubChem (CID 29978032), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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