4-{2-[2-(Dimethylamino)-2-oxoethoxy]-2-oxoethyl}phenyl 4-carbamimidamidobenzoate methanesulfonate (1:1) | CAS No. 59721-29-8

4-{2-[2-(Dimethylamino)-2-oxoethoxy]-2-oxoethyl}phenyl 4-carbamimidamidobenzoate methanesulfonate (1:1)

Basic Information

CAS Number

59721-29-8

Molecular Formula

C21H26N4O8S

Molecular Weight

494.53 g/mol

AD

Basic Physical Properties

Melting Point

163.0 to 167.0 deg-C

Boiling Point

634.6 ºC at 760 mmHg

Density

Not available

Water Solubility

Soluble in water (100 mM), DMSO (100 mM), and ethanol (<1 mg/ml).

Flash Point

634.6 ºC at 760 mmHg

Solubility

H2O: ≥24mg/mL

Vapor Pressure

Not available

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

LogP

0.8890700000000007

Topological Polar Surface Area

189.17999999999998 Ų

Hydrogen Bond Donor/Acceptor

5 / 12

Complexity

695

Safety Information

View Safety Information

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 9 Class 9

Synonyms & References

English

  • SMR002530343
  • Tox21_112523_1
  • Foipan (TN)
  • HMS3651D04
  • FOY-S980
  • D01766
  • CAMOSTAT MESILATE [WHO-DD]
  • camostat mesilate
  • SCHEMBL871583
  • NCGC00167526-02
  • Camostat mesylate
  • C2977
  • 4-(2-(2-(dimethylamino)-2-oxoethoxy)-2-oxoethyl)phenyl4-guanidinobenzoatemethanesulfonate
  • 4-(2-{[2-(dimethylamino)-2-oxoethyl]oxy}-2-oxoethyl)phenyl 4-{[amino(imino)methyl]amino}benzoate methanesulfonate
  • DTXSID0020238
  • AMY8832
  • Camostat mesylate, >=98% (HPLC)
  • Camostat mesilate [JAN]
  • FT-0648873
  • AKOS015966692
  • Q-200778
  • Camostat mesilate (JP17)
  • FOY 305
  • 2-(Dimethylamino)-2-oxoethyl 4-(4-guanidinobenzoyloxy)phenylacetate methanesulphonate
  • FOY-S 980
  • HY-13512
  • Q23731028
  • CAS-59721-29-8
  • HS-0060
  • BCP06708
  • 4-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-[(diaminomethylidene)amino]benzoate; methanesulfonic acid

MDL Number

MFCD00941410

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