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Camostat mesylate

CAT: 0926-FC19641-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FC19641-01Size:100 mg
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CAS Number
59721-29-8
Synonyms
4-[[4-[ (Aminoiminomethyl) amino]benzoyl]oxy]benzeneacetic acid 2- (dimethylamino) -2-oxoethyl ester methanesulfonate; FOY 305; FOY-S 980
MDL Number
MFCD00941410
Smiles
CN (C) C (=O) COC (=O) CC1=CC=C (C=C1) OC (=O) C2=CC=C (C=C2) N=C (N) N.CS (=O) (=O) O
Molecular Formula
C20H22N4O5•CH4O3S
Molecular Weight
494.52 g/mol
Controlled
No

Chemical Information

Camostat Mesylate

Camostat mesylate is a methanesulfonate (mesylate) salt prepared from equimolar amounts of camostat and methanesulfonic acid. It is a serine protease inhibitor approved and marketed in Japan in 1985 for the alleviation of acute symptoms associated with chronic pancreatitis. In 1994, it was approved for the treatment of postoperative reflux esophagitis. It has a role as an anticoronaviral agent, an antiviral agent, an antineoplastic agent, an antihypertensive agent, an antifibrinolytic drug, a serine protease inhibitor and an anti-inflammatory agent. It contains a camostat(1+).

CAS Number59721-29-8
PubChem CID5284360
IUPAC Name[4-[2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl]phenyl] 4-(diaminomethylideneamino)benzoate;methanesulfonic acid
Molecular FormulaC21H26N4O8S
Molecular Weight494.5
Topological Polar Surface Area200
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity695
SMILES
CN(C)C(=O)COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)O
InChI
InChI=1S/C20H22N4O5.CH4O3S/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22;1-5(2,3)4/h3-10H,11-12H2,1-2H3,(H4,21,22,23);1H3,(H,2,3,4)
InChIKey
FSEKIHNIDBATFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Camostat Mesylate
CAS: 59721-29-8
CID: 5284360
Formula: C21H26N4O8S
MW: 494.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass494.14713497
Monoisotopic Mass494.14713497
Topological Polar Surface Area200 Ų
Heavy Atom Count34
Formal Charge0
Complexity695
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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