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(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,7,9-trihydroxy-N-(2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-6-carboxamide 4-methylbenzenesulfonate

Catalog No. :
ACMAKT941
CAS No. :
1345728-04-2
Molecular Formula :
C39H42N4O9S
Molecular Weight :
742.85

IUPAC Name:(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,7,9-trihydroxy-N-(2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-6-carboxamide 4-methylbenzenesulfonate

(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,7,9-trihydroxy-N-(2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-6-carboxamide 4-methylbenzenesulfonate structure diagram
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Product Name(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,7,9-trihydroxy-N-(2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-6-carboxamide 4-methylbenzenesulfonate
IUPAC Name(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,7,9-trihydroxy-N-(2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl)-2,3,4,4a,5,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-6-carboxamide 4-methylbenzenesulfonate
Molecular FormulaC39H42N4O9S
Molecular Weight742.85
SMILESCC(C)(NC(=O)C1=C(O)[C@@H]2OC3=C4C(=CC=C3O)C[C@H]3N(CC5CC5)CC[C@]42[C@@]3(O)C1)C1=NC(C2=CC=CC=C2)=NO1.CC1=CC=C(S(=O)(=O)O)C=C1
InChI KeyWCYDLROFMZJJLE-RTMHEQJQSA-N
SynonymNaldemedine tosylate | 17-(Cyclopropylmethyl)-6,7-didehydro-4,5a-epoxy-3,6,14-trihydroxy-N-(2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl)morphinan-7-carboxamide 4-methylbenzenesulfonic acid | DTXCID9081300 | Naldemedine (tosylate) | NALDEMEDINE TOSILATE [
CAS No.1345728-04-2
PubChem CID56837137

Synthetic Route by SureRoute

1. ACMAKT941 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
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  4. Then
  5. ACMAKT941 route product structure diagram
    ACMAKT9411345728-04-2
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2. ACMAKT941 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACMAKT941 route product structure diagram
    ACMAKT9411345728-04-2
Inquiry

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