Sofigatran

Catalog No. :
ACDBDK618
CAS No. :
187602-11-5
Molecular Formula :
C24H44N4O4S
Molecular Weight :
484.71

IUPAC Name:propyl ((S)-1-((S)-2-((((1r,4S)-4-aminocyclohexyl)methyl)carbamoyl)pyrrolidin-1-yl)-3-(isopropylthio)-3-methyl-1-oxobutan-2-yl)carbamate

Sofigatran structure diagram
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Product Information

Product NameSofigatran
IUPAC Namepropyl ((S)-1-((S)-2-((((1r,4S)-4-aminocyclohexyl)methyl)carbamoyl)pyrrolidin-1-yl)-3-(isopropylthio)-3-methyl-1-oxobutan-2-yl)carbamate
Molecular FormulaC24H44N4O4S
Molecular Weight484.71
SMILESCCCOC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](N)CC1)C(C)(C)SC(C)C
InChI KeyMNMZVSQUWOILCZ-MUGJNUQGSA-N
SynonymMNMZVSQUWOILCZ-MUGJNUQGSA-N;SOFIGATRAN;3-[(1-Methylethyl)thio]-N-(propoxycarbonyl)-D-valyl-N-[(trans-4-aminocyclohexyl)methyl]-L-prolinamide;MCC-977;L-Prolinamide, 3-[(1-methylethyl)thio]-N-(propoxycarbonyl)-D-valyl-N-[(trans-4-aminocyclohexyl)methyl]-
CAS No.187602-11-5

Safety Data

Pictogram
Harmful or irritant
Signal Word
Warning
Hazard Statement(s)
H302
Precautionary Statement(s)
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Synthetic Route by SureRoute

1. ACDBDK618 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Plus
  5. ACDTQJ324 route compound structure diagram
    ACDTQJ3247447-41-8 In Stock
  6. Then
  7. ACDBDK618 route product structure diagram
    ACDBDK618187602-11-5
Inquiry

2. ACDBDK618 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACDBDK618 route product structure diagram
    ACDBDK618187602-11-5
Inquiry

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