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Chemical structure of NO-Indomethacin

GC44439

NO-Indomethacin

Also known as 4-nitrooxybutyl (2R)-2-acetamido-3-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]sulfanylpropanoate

NO-indomethacin is a hybrid molecule of indomethacin and a nitric oxide (NO) donor

ChemicalCAS301838-28-8MW620.1FormulaC28H30ClN3O9S
CAS number
301838-28-8
Molecular weight
620.1
Formula
C28H30ClN3O9S
Solubility
DMF: 30 mg/ml,DMF:PBS (pH 7·2)(1:1): ·5 mg/ml,DMSO: 20 mg/ml,Ethanol: ·5 mg/ml
InChIKey
VRJSAIFPCMOTPZ-DEOSSOPVSA-N
Catalogue number
GC44439
Brand
GLPBIO
Computed properties PubChem CID 9830512 · XLogP 5.4 · TPSA 184 Ų · H-bond donors 1
XLogP
5.4
TPSA
184 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
15
Heavy atoms
42

SMILES CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)SC[C@@H](C(=O)OCCCCO[N+](=O)[O-])NC(=O)C

Computed descriptors from PubChem (CID 9830512), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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