(4S)-4-(Difluoromethyl)-8-fluoro-3,4,13,14-tetrahydro-13,13-dimethyl-18,1-metheno-6H-[1,4]oxazino[3,4-i]pyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecin-15(12H)-one

Catalog No. :
ACGNUI507
CAS No. :
2648641-36-3
Molecular Formula :
C21H20F3N5O3
Molecular Weight :
447.42

IUPAC Name:(S,14aE,15aE)-13-(difluoromethyl)-35-fluoro-6,6-dimethyl-13,14-dihydro-12H-4-oxa-7-aza-1(4,6)-pyrazolo[1',5':1,2]pyrimido[5,4-b][1,4]oxazina-3(1,2)-benzenacyclooctaphan-8-one

(4S)-4-(Difluoromethyl)-8-fluoro-3,4,13,14-tetrahydro-13,13-dimethyl-18,1-metheno-6H-[1,4]oxazino[3,4-i]pyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecin-15(12H)-one structure diagram
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Product Information

Product Name(4S)-4-(Difluoromethyl)-8-fluoro-3,4,13,14-tetrahydro-13,13-dimethyl-18,1-metheno-6H-[1,4]oxazino[3,4-i]pyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecin-15(12H)-one
IUPAC Name(S,14aE,15aE)-13-(difluoromethyl)-35-fluoro-6,6-dimethyl-13,14-dihydro-12H-4-oxa-7-aza-1(4,6)-pyrazolo[1',5':1,2]pyrimido[5,4-b][1,4]oxazina-3(1,2)-benzenacyclooctaphan-8-one
MDL No.MFCD34474251
Molecular FormulaC21H20F3N5O3
Molecular Weight447.42
SMILESO=C1NC(C)(C)COC2=CC=C(F)C=C2CN3C4=NC5=C1C=NN5C=C4OC[C@H]3C(F)F
InChI KeyILAMRXVQSGVCJX-AWEZNQCLSA-N
Synonym18,1-Metheno-6H-(1,4)oxazino(3,4-i)pyrazolo(4,3-F)(1,4,8,10)benzoxatriazacyclotridecin-15(12H)-one, 4-(difluoromethyl)-8-fluoro-3,4,13,14-tetrahydro-13,13-dimethyl-, (4S)- | zotizalkib [INN] | CS-0182825 | MS-28090 | (S,14aE,15aE)-13-(difluoromethyl)-35-f
CAS No.2648641-36-3
PubChem CID156024486

Safety Data

Pictogram
Harmful or irritant
Signal Word
Warning
Hazard Statement(s)
H302-H315-H319
Precautionary Statement(s)
P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501

Synthetic Route by SureRoute

1. ACGNUI507 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACGNUI507 route product structure diagram
    ACGNUI5072648641-36-3
Inquiry

2. ACGNUI507 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACGNUI507 route product structure diagram
    ACGNUI5072648641-36-3
Inquiry

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