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Nafamostat hydrochloride

CAT: 0607-B1178-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B1178-50Size:50 mg
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Description
Synthetic serine protease inhibitor
CAS Number
80251-32-7
Product Name Alternative
6-carbamimidoylnaphthalen-2-yl 4-guanidinobenzoate dihydrochloride
Field of Research
Chromatin Epigenetics Protein Ser Thr Phosphatases
Purity
0.98
Solubility
Soluble in DMSO
Smiles
NC(C1=CC2=CC=C(OC(C3=CC=C(NC(N)=N)C=C3)=O)C=C2C=C1)=N.Cl.Cl
Molecular Formula
C19H19Cl2N5O2
Molecular Weight
420.29
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Nafamostat hydrochloride
CAS Number80251-32-7
PubChem CID13050562
IUPAC Name(6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)benzoate;dihydrochloride
Molecular FormulaC19H19Cl2N5O2
Molecular Weight420.3
Topological Polar Surface Area141
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity552
SMILES
C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N=C(N)N.Cl.Cl
InChI
InChI=1S/C19H17N5O2.2ClH/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23;;/h1-10H,(H3,20,21)(H4,22,23,24);2*1H
InChIKey
GKGJACPQHBIISL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nafamostat hydrochloride
CAS: 80251-32-7
CID: 13050562
Formula: C19H19Cl2N5O2
MW: 420.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass419.0915803
Monoisotopic Mass419.0915803
Topological Polar Surface Area141 Ų
Heavy Atom Count28
Formal Charge0
Complexity552
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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