4-((2-(2,5-dioxopyrrolidin-1-yl)ethyl)thio)phenyl 4-((diaminomethylene)amino)benzoate hydrochloride

Catalog No. :
ACLSUI029
CAS No. :
3031765-17-7
Molecular Formula :
C20H21ClN4O4S
Molecular Weight :
448.93

IUPAC Name:4-((2-(2,5-dioxopyrrolidin-1-yl)ethyl)thio)phenyl 4-((diaminomethylene)amino)benzoate hydrochloride

4-((2-(2,5-dioxopyrrolidin-1-yl)ethyl)thio)phenyl 4-((diaminomethylene)amino)benzoate hydrochloride structure diagram
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Product Information

Product Name4-((2-(2,5-dioxopyrrolidin-1-yl)ethyl)thio)phenyl 4-((diaminomethylene)amino)benzoate hydrochloride
IUPAC Name4-((2-(2,5-dioxopyrrolidin-1-yl)ethyl)thio)phenyl 4-((diaminomethylene)amino)benzoate hydrochloride
Molecular FormulaC20H21ClN4O4S
Molecular Weight448.93
SMILESCl.NC(N)=NC1=CC=C(C(=O)OC2=CC=C(SCCN3C(=O)CCC3=O)C=C2)C=C1
InChI KeySBCGAZZLYCPKCE-UHFFFAOYSA-N
SynonymPatamostat HCl;Benzoic acid, 4-[(aminoiminomethyl)amino]-, 4-[[2-(2,5-dioxo-1-pyrrolidinyl)ethyl]thio]phenyl ester, hydrochloride (1:1)
CAS No.3031765-17-7

Synthetic Route by SureRoute

1. ACLSUI029 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACVLZO762 route compound structure diagram
    ACVLZO76216060-65-4 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACLSUI029 route product structure diagram
    ACLSUI0293031765-17-7
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2. ACLSUI029 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACLSUI029 route product structure diagram
    ACLSUI0293031765-17-7
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