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Chemical structure of Carbonic anhydrase inhibitor 2

GC68830

Carbonic anhydrase inhibitor 2

Also known as methyl 2-[[2-[(4-sulfamoylphenyl)carbamoylamino]acetyl]amino]acetate

Carbonic anhydrase inhibitor 2 (compound 7c) is a carbonic anhydrase II inhibitor that can reduce intraocular pressure in rabbits with glaucoma

ChemicalCAS2758231-43-3MW344.34FormulaC12H16N4O6S
CAS number
2758231-43-3
Molecular weight
344.34
Formula
C12H16N4O6S
Solubility
DMSO : 20 mg/mL (58·08 mM; ultrasonic and warming and adjust pH to 5 with 1M HCl and heat to 80°C); DMSO : 20 mg/mL (58·08 mM; ultrasonic and warming and adjust pH to 4 with HCl and heat to 80°C)
InChIKey
HYGAYYSZXIJQMB-UHFFFAOYSA-N
Catalogue number
GC68830
Brand
GLPBIO
Computed properties PubChem CID 163196296 · XLogP -1.2 · TPSA 165 Ų · H-bond donors 4
XLogP
-1.2
TPSA
165 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
23

SMILES COC(=O)CNC(=O)CNC(=O)NC1=CC=C(C=C1)S(=O)(=O)N

Computed descriptors from PubChem (CID 163196296), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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